1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine

C19H33NO — CID 63832189

IUPAC1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)C(C)(C)C)c1ccc(OC)cc1C
InChIInChI=1S/C19H33NO/c1-8-11-20-18(13-15(3)19(4,5)6)17-10-9-16(21-7)12-14(17)2/h9-10,12,15,18,20H,8,11,13H2,1-7H3
InChIKeyGJOKUFYMUBVSLR-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.12
Rot. Bonds7

About 1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine

1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine (PubChem CID 63832189) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine
PubChem CID63832189
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)C(C)(C)C)c1ccc(OC)cc1C
InChIInChI=1S/C19H33NO/c1-8-11-20-18(13-15(3)19(4,5)6)17-10-9-16(21-7)12-14(17)2/h9-10,12,15,18,20H,8,11,13H2,1-7H3
InChIKeyGJOKUFYMUBVSLR-UHFFFAOYSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503187
1-(2-chloro-4,5-dimethylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 115484152
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 105026112
N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 103435385
2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine
CID 116719567
N-[1-(4-methoxy-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 65318369
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine
CID 60787472
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine (CID 63832189) is 1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine is CCCNC(CC(C)C(C)(C)C)c1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine?
The InChIKey is GJOKUFYMUBVSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-8-11-20-18(13-15(3)19(4,5)6)17-10-9-16(21-7)12-14(17)2/h9-10,12,15,18,20H,8,11,13H2,1-7H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine?
1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.12, 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)-3,4,4-trimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 63832189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).