1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene

C102H158N2O4 — CID 162206871

IUPAC1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene
SMILESCCCCCc1ccccc1CCCC.CCCCCc1ccccc1OCCC.CCCCOc1ccccc1CCCC.CCCCOc1ccccc1OCCC.CCCCc1cccc(CC)c1.CCCCc1cccc(CCC)c1.CCCc1cccc(CNC)c1.CCc1cccc(CNC)c1
InChIInChI=1S/C15H24.2C14H22O.C13H20O2.C13H20.C12H18.C11H17N.C10H15N/c1-3-5-7-11-15-13-9-8-12-14(15)10-6-4-2;1-3-5-6-9-13-10-7-8-11-14(13)15-12-4-2;1-3-5-9-13-10-7-8-11-14(13)15-12-6-4-2;1-3-5-11-15-13-9-7-6-8-12(13)14-10-4-2;1-3-5-8-13-10-6-9-12(11-13)7-4-2;1-3-5-7-12-9-6-8-11(4-2)10-12;1-3-5-10-6-4-7-11(8-10)9-12-2;1-3-9-5-4-6-10(7-9)8-11-2/h8-9,12-13H,3-7,10-11H2,1-2H3;2*7-8,10-11H,3-6,9,12H2,1-2H3;6-9H,3-5,10-11H2,1-2H3;6,9-11H,3-5,7-8H2,1-2H3;6,8-10H,3-5,7H2,1-2H3;4,6-8,12H,3,5,9H2,1-2H3;4-7,11H,3,8H2,1-2H3
InChIKeyZSHPTEGFTVCQSV-UHFFFAOYSA-N
MW1476.40 g/mol
LogP28.73
Rot. Bonds44

About 1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene

1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene (PubChem CID 162206871) has the molecular formula C102H158N2O4 and a molecular weight of 1476.40 g/mol. Its IUPAC name is 1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene.

Molecular Properties

Compound Name1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene
PubChem CID162206871
Molecular FormulaC102H158N2O4
Molecular Weight1476.40 g/mol
Exact Mass1475.22
IUPAC Name1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene
SMILESCCCCCc1ccccc1CCCC.CCCCCc1ccccc1OCCC.CCCCOc1ccccc1CCCC.CCCCOc1ccccc1OCCC.CCCCc1cccc(CC)c1.CCCCc1cccc(CCC)c1.CCCc1cccc(CNC)c1.CCc1cccc(CNC)c1
InChIInChI=1S/C15H24.2C14H22O.C13H20O2.C13H20.C12H18.C11H17N.C10H15N/c1-3-5-7-11-15-13-9-8-12-14(15)10-6-4-2;1-3-5-6-9-13-10-7-8-11-14(13)15-12-4-2;1-3-5-9-13-10-7-8-11-14(13)15-12-6-4-2;1-3-5-11-15-13-9-7-6-8-12(13)14-10-4-2;1-3-5-8-13-10-6-9-12(11-13)7-4-2;1-3-5-7-12-9-6-8-11(4-2)10-12;1-3-5-10-6-4-7-11(8-10)9-12-2;1-3-9-5-4-6-10(7-9)8-11-2/h8-9,12-13H,3-7,10-11H2,1-2H3;2*7-8,10-11H,3-6,9,12H2,1-2H3;6-9H,3-5,10-11H2,1-2H3;6,9-11H,3-5,7-8H2,1-2H3;6,8-10H,3-5,7H2,1-2H3;4,6-8,12H,3,5,9H2,1-2H3;4-7,11H,3,8H2,1-2H3
InChIKeyZSHPTEGFTVCQSV-UHFFFAOYSA-N
XLogP28.73
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds44
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001476.40
LogP ≤ 528.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene with MolForge

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Related Compounds

2-[[4-[[3-[3-[[4-[(2-Hydroxyethylamino)methyl]-2-methylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-methylphenyl]methylamino]ethanol
CID 134230940
N-[(3-phenylphenyl)methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
CID 16109481
N-[2-(benzyloxy)-3-methoxybenzyl]-1-adamantanamine hydrochloride
CID 2981241
N'-[(2-methoxyphenyl)methyl]-N-[[4-[4-[4-[[6-[(2-methoxyphenyl)methylamino]hexylamino]methyl]phenyl]phenyl]phenyl]methyl]hexane-1,6-diamine
CID 10930604
N'-[(2-methoxyphenyl)methyl]-N-[[3-[[3-[[6-[(2-methoxyphenyl)methyl-nonylamino]hexylamino]methyl]phenyl]methyl]phenyl]methyl]hexane-1,6-diamine
CID 44340154
N,N'-bis[(3,4-diethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531889
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexane-1,6-diamine
CID 57390890
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]decane-1,10-diamine
CID 57390891
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]propane-1,3-diamine
CID 57394405
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]octane-1,8-diamine
CID 57401391
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
N-[[2-methoxy-4-[3-[3-[3-methoxy-4-[(oxan-4-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methyl]oxan-4-amine
CID 164613553

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene?
The IUPAC name of 1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene (CID 162206871) is 1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene.
What is the SMILES notation for 1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene?
The canonical SMILES for 1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene is CCCCCc1ccccc1CCCC.CCCCCc1ccccc1OCCC.CCCCOc1ccccc1CCCC.CCCCOc1ccccc1OCCC.CCCCc1cccc(CC)c1.CCCCc1cccc(CCC)c1.CCCc1cccc(CNC)c1.CCc1cccc(CNC)c1.
What is the InChIKey of 1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene?
The InChIKey is ZSHPTEGFTVCQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.2C14H22O.C13H20O2.C13H20.C12H18.C11H17N.C10H15N/c1-3-5-7-11-15-13-9-8-12-14(15)10-6-4-2;1-3-5-6-9-13-10-7-8-11-14(13)15-12-4-2;1-3-5-9-13-10-7-8-11-14(13)15-12-6-4-2;1-3-5-11-15-13-9-7-6-8-12(13)14-10-4-2;1-3-5-8-13-10-6-9-12(11-13)7-4-2;1-3-5-7-12-9-6-8-11(4-2)10-12;1-3-5-10-6-4-7-11(8-10)9-12-2;1-3-9-5-4-6-10(7-9)8-11-2/h8-9,12-13H,3-7,10-11H2,1-2H3;2*7-8,10-11H,3-6,9,12H2,1-2H3;6-9H,3-5,10-11H2,1-2H3;6,9-11H,3-5,7-8H2,1-2H3;6,8-10H,3-5,7H2,1-2H3;4,6-8,12H,3,5,9H2,1-2H3;4-7,11H,3,8H2,1-2H3.
What are the key properties of 1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene?
1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene has a molecular weight of 1476.40 g/mol, XLogP of 28.73, 44 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-butylbenzene;1-butoxy-2-propoxybenzene;1-butyl-3-ethylbenzene;1-butyl-2-pentylbenzene;1-butyl-3-propylbenzene;1-(3-ethylphenyl)-N-methylmethanamine;N-methyl-1-(3-propylphenyl)methanamine;1-pentyl-2-propoxybenzene is sourced from PubChem (CID 162206871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).