1-(3-methoxy-4-methylphenyl)decan-1-amine

C18H31NO — CID 115831533

IUPAC1-(3-methoxy-4-methylphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1ccc(C)c(OC)c1
InChIInChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-17(19)16-13-12-15(2)18(14-16)20-3/h12-14,17H,4-11,19H2,1-3H3
InChIKeyWENSLOVRIBGAJV-UHFFFAOYSA-N
MW277.45 g/mol
LogP5.14
Rot. Bonds10

About 1-(3-methoxy-4-methylphenyl)decan-1-amine

1-(3-methoxy-4-methylphenyl)decan-1-amine (PubChem CID 115831533) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)decan-1-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)decan-1-amine
PubChem CID115831533
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(3-methoxy-4-methylphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1ccc(C)c(OC)c1
InChIInChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-17(19)16-13-12-15(2)18(14-16)20-3/h12-14,17H,4-11,19H2,1-3H3
InChIKeyWENSLOVRIBGAJV-UHFFFAOYSA-N
XLogP5.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methoxy-4-methylphenyl)decan-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-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970
1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol
CID 171225063
1-(3-methoxy-4-methylphenyl)nonylhydrazine
CID 105294336
(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride
CID 171200481
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171225064
(4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171205490
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171211119
1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
CID 115832136
1-(3-methoxy-4-methylphenyl)hex-5-yn-1-amine
CID 105033862

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)decan-1-amine?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)decan-1-amine (CID 115831533) is 1-(3-methoxy-4-methylphenyl)decan-1-amine.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)decan-1-amine?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)decan-1-amine is CCCCCCCCCC(N)c1ccc(C)c(OC)c1.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)decan-1-amine?
The InChIKey is WENSLOVRIBGAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-17(19)16-13-12-15(2)18(14-16)20-3/h12-14,17H,4-11,19H2,1-3H3.
What are the key properties of 1-(3-methoxy-4-methylphenyl)decan-1-amine?
1-(3-methoxy-4-methylphenyl)decan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)decan-1-amine is sourced from PubChem (CID 115831533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).