1-(3-methoxyphenyl)-N-methyloctan-1-amine

C16H27NO — CID 62606041

IUPAC1-(3-methoxyphenyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1cccc(OC)c1
InChIInChI=1S/C16H27NO/c1-4-5-6-7-8-12-16(17-2)14-10-9-11-15(13-14)18-3/h9-11,13,16-17H,4-8,12H2,1-3H3
InChIKeyNLTKPZPQFWAUAA-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.32
Rot. Bonds9

About 1-(3-methoxyphenyl)-N-methyloctan-1-amine

1-(3-methoxyphenyl)-N-methyloctan-1-amine (PubChem CID 62606041) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyloctan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyloctan-1-amine
PubChem CID62606041
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(3-methoxyphenyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1cccc(OC)c1
InChIInChI=1S/C16H27NO/c1-4-5-6-7-8-12-16(17-2)14-10-9-11-15(13-14)18-3/h9-11,13,16-17H,4-8,12H2,1-3H3
InChIKeyNLTKPZPQFWAUAA-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methoxyphenyl)-N-methyloctan-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-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282
1-(3-ethoxyphenyl)-N-methylnonan-1-amine
CID 63414326
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
CID 62606227
1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine
CID 107758622
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine
CID 63414431

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyloctan-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyloctan-1-amine (CID 62606041) is 1-(3-methoxyphenyl)-N-methyloctan-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyloctan-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyloctan-1-amine is CCCCCCCC(NC)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyloctan-1-amine?
The InChIKey is NLTKPZPQFWAUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-5-6-7-8-12-16(17-2)14-10-9-11-15(13-14)18-3/h9-11,13,16-17H,4-8,12H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyloctan-1-amine?
1-(3-methoxyphenyl)-N-methyloctan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyloctan-1-amine is sourced from PubChem (CID 62606041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).