1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine

C17H29NO — CID 63503187

IUPAC1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(OC)cc1C)C(C)(C)CC
InChIInChI=1S/C17H29NO/c1-7-11-18-16(17(4,5)8-2)15-10-9-14(19-6)12-13(15)3/h9-10,12,16,18H,7-8,11H2,1-6H3
InChIKeyNQSJEPCLXNYPCC-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.48
Rot. Bonds7

About 1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine

1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine (PubChem CID 63503187) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
PubChem CID63503187
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(OC)cc1C)C(C)(C)CC
InChIInChI=1S/C17H29NO/c1-7-11-18-16(17(4,5)8-2)15-10-9-14(19-6)12-13(15)3/h9-10,12,16,18H,7-8,11H2,1-6H3
InChIKeyNQSJEPCLXNYPCC-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679747
2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylbutan-1-amine
CID 102757971
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646
N-ethyl-2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 116758102
1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 63832189
2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine
CID 116719567
1-(2,4-dimethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758376
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43495216
1-N,2-N,2-N-triethyl-1-(4-methoxy-2-methylphenyl)-2-methylpropane-1,2-diamine
CID 79046675
1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679941
N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine (CID 63503187) is 1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine is CCCNC(c1ccc(OC)cc1C)C(C)(C)CC.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The InChIKey is NQSJEPCLXNYPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-11-18-16(17(4,5)8-2)15-10-9-14(19-6)12-13(15)3/h9-10,12,16,18H,7-8,11H2,1-6H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine?
1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 63503187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).