1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane

C87H155N3O6 — CID 159315161

IUPAC1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane
SMILESCC(C)C1CCCC1.CC(C)CC1CCCCC1.CC(C)CCO.CC(C)CN1CCN(C)CC1.CC(C)CN1CCOCC1.CC(C)Cc1ccccc1.CC(C)c1ccc2c(c1)OCO2.CCCC(C)C.COc1ccc(C(C)C)cc1.COc1ccc(CC(C)C)cc1
InChIInChI=1S/C11H16O.C10H12O2.C10H14O.C10H20.C10H14.C9H20N2.C8H17NO.C8H16.C6H14.C5H12O/c1-9(2)8-10-4-6-11(12-3)7-5-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(11-3)7-5-9;2*1-9(2)8-10-6-4-3-5-7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-5-3-4-6-8;1-4-5-6(2)3;1-5(2)3-4-6/h4-7,9H,8H2,1-3H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;9H,4-8H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyLDAUQJMCAKFPAH-UHFFFAOYSA-N
MW1339.21 g/mol
LogP22.91
Rot. Bonds19

About 1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane

1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane (PubChem CID 159315161) has the molecular formula C87H155N3O6 and a molecular weight of 1339.21 g/mol. Its IUPAC name is 1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane
PubChem CID159315161
Molecular FormulaC87H155N3O6
Molecular Weight1339.21 g/mol
Exact Mass1338.19
IUPAC Name1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane
SMILESCC(C)C1CCCC1.CC(C)CC1CCCCC1.CC(C)CCO.CC(C)CN1CCN(C)CC1.CC(C)CN1CCOCC1.CC(C)Cc1ccccc1.CC(C)c1ccc2c(c1)OCO2.CCCC(C)C.COc1ccc(C(C)C)cc1.COc1ccc(CC(C)C)cc1
InChIInChI=1S/C11H16O.C10H12O2.C10H14O.C10H20.C10H14.C9H20N2.C8H17NO.C8H16.C6H14.C5H12O/c1-9(2)8-10-4-6-11(12-3)7-5-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(11-3)7-5-9;2*1-9(2)8-10-6-4-3-5-7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-5-3-4-6-8;1-4-5-6(2)3;1-5(2)3-4-6/h4-7,9H,8H2,1-3H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;9H,4-8H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyLDAUQJMCAKFPAH-UHFFFAOYSA-N
XLogP22.91
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001339.21
LogP ≤ 522.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane with MolForge

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Related Compounds

2-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanoic acid
CID 82140726
1,4-dimethylpiperazine;ethyl (2S)-2-(methylamino)-3-phenylpropanoate;ethyl (2S)-2-(methylamino)propanoate;4-methoxy-N-methylaniline;1-[4-(methylamino)phenyl]ethanone;N-methyl-1,3-benzodioxol-5-amine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;trans-(2R,5S)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine
CID 159587315
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10204678
(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949400
1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanol
CID 60980183
1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 56570250
1-[1-(1-benzylpyrrolidin-3-yl)ethyl]-3-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]urea
CID 166205091
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 42883936
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide
CID 46286311
4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine
CID 42867823
2-morpholin-4-ylethyl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
CID 166468394
(1S,2R)-1-cyclohexyl-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949434

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane?
The IUPAC name of 1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane (CID 159315161) is 1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane.
What is the SMILES notation for 1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane?
The canonical SMILES for 1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane is CC(C)C1CCCC1.CC(C)CC1CCCCC1.CC(C)CCO.CC(C)CN1CCN(C)CC1.CC(C)CN1CCOCC1.CC(C)Cc1ccccc1.CC(C)c1ccc2c(c1)OCO2.CCCC(C)C.COc1ccc(C(C)C)cc1.COc1ccc(CC(C)C)cc1.
What is the InChIKey of 1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane?
The InChIKey is LDAUQJMCAKFPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C10H12O2.C10H14O.C10H20.C10H14.C9H20N2.C8H17NO.C8H16.C6H14.C5H12O/c1-9(2)8-10-4-6-11(12-3)7-5-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-4-6-10(11-3)7-5-9;2*1-9(2)8-10-6-4-3-5-7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-5-3-4-6-8;1-4-5-6(2)3;1-5(2)3-4-6/h4-7,9H,8H2,1-3H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;9H,4-8H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane?
1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane has a molecular weight of 1339.21 g/mol, XLogP of 22.91, 19 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-4-propan-2-ylbenzene;3-methylbutan-1-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;2-methylpropylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)morpholine;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclopentane is sourced from PubChem (CID 159315161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).