(4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine

C18H23NO — CID 107177081

IUPAC(4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine
SMILESCOc1ccc(C(N)C2CCCC2C)c2ccccc12
InChIInChI=1S/C18H23NO/c1-12-6-5-9-13(12)18(19)16-10-11-17(20-2)15-8-4-3-7-14(15)16/h3-4,7-8,10-13,18H,5-6,9,19H2,1-2H3
InChIKeyVPLWCZAPGPSMHD-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.28
Rot. Bonds3

About (4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine

(4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine (PubChem CID 107177081) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine
PubChem CID107177081
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine
SMILESCOc1ccc(C(N)C2CCCC2C)c2ccccc12
InChIInChI=1S/C18H23NO/c1-12-6-5-9-13(12)18(19)16-10-11-17(20-2)15-8-4-3-7-14(15)16/h3-4,7-8,10-13,18H,5-6,9,19H2,1-2H3
InChIKeyVPLWCZAPGPSMHD-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine 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

(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine
CID 43150794
(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine
CID 43150779
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 107000919
(2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177787
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
CID 171266215
1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene
CID 103165718
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride
CID 171266216
(2-fluorophenyl)-(2-methylcyclopentyl)methanamine
CID 107188100
2-cyclobutyl-1-(4-methoxynaphthalen-1-yl)ethanol
CID 103165335
1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine
CID 62798863
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695

Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine?
The IUPAC name of (4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine (CID 107177081) is (4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine is COc1ccc(C(N)C2CCCC2C)c2ccccc12.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine?
The InChIKey is VPLWCZAPGPSMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-6-5-9-13(12)18(19)16-10-11-17(20-2)15-8-4-3-7-14(15)16/h3-4,7-8,10-13,18H,5-6,9,19H2,1-2H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine?
(4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107177081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).