1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine

C15H25NO2 — CID 83162187

IUPAC1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
SMILESCOc1ccc(C(N)CCCC(C)C)cc1OC
InChIInChI=1S/C15H25NO2/c1-11(2)6-5-7-13(16)12-8-9-14(17-3)15(10-12)18-4/h8-11,13H,5-7,16H2,1-4H3
InChIKeyBVDRODOGDFRUFW-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.53
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine

1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine (PubChem CID 83162187) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
PubChem CID83162187
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
SMILESCOc1ccc(C(N)CCCC(C)C)cc1OC
InChIInChI=1S/C15H25NO2/c1-11(2)6-5-7-13(16)12-8-9-14(17-3)15(10-12)18-4/h8-11,13H,5-7,16H2,1-4H3
InChIKeyBVDRODOGDFRUFW-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethoxyphenyl)-5-methylhexan-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

(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171210846
(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199339
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine
CID 43111176
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
1-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfinyl)ethanamine
CID 107760430
4-amino-4-(3,4-dimethoxyphenyl)butanamide
CID 60862827
(4S)-4-amino-4-(3,4-dimethoxyphenyl)butan-2-ol
CID 71044038
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171201487

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine (CID 83162187) is 1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine is COc1ccc(C(N)CCCC(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine?
The InChIKey is BVDRODOGDFRUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)6-5-7-13(16)12-8-9-14(17-3)15(10-12)18-4/h8-11,13H,5-7,16H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine?
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine is sourced from PubChem (CID 83162187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).