1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine

C17H29NO — CID 103435574

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1ccc(C)c(C)c1OC
InChIInChI=1S/C17H29NO/c1-6-8-14(9-7-2)16(18)15-11-10-12(3)13(4)17(15)19-5/h10-11,14,16H,6-9,18H2,1-5H3
InChIKeyAQTYEKUDIWNHIF-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.53
Rot. Bonds7

About 1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine

1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine (PubChem CID 103435574) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine
PubChem CID103435574
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1ccc(C)c(C)c1OC
InChIInChI=1S/C17H29NO/c1-6-8-14(9-7-2)16(18)15-11-10-12(3)13(4)17(15)19-5/h10-11,14,16H,6-9,18H2,1-5H3
InChIKeyAQTYEKUDIWNHIF-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103435224
1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
CID 103435219
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
N-[2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103517310
1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine
CID 82985587
2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid
CID 103434197
(4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433606
methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate
CID 103434208
1-(2-methoxy-3,4-dimethylphenyl)-2-(4-methylphenyl)ethanamine
CID 103433454
(4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433961

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine (CID 103435574) is 1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine is CCCC(CCC)C(N)c1ccc(C)c(C)c1OC.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine?
The InChIKey is AQTYEKUDIWNHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-8-14(9-7-2)16(18)15-11-10-12(3)13(4)17(15)19-5/h10-11,14,16H,6-9,18H2,1-5H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine?
1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine is sourced from PubChem (CID 103435574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).