[1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine

C16H25NO — CID 65393215

IUPAC[1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine
SMILESCOc1ccccc1CC1(CN)CCCC(C)C1
InChIInChI=1S/C16H25NO/c1-13-6-5-9-16(10-13,12-17)11-14-7-3-4-8-15(14)18-2/h3-4,7-8,13H,5-6,9-12,17H2,1-2H3
InChIKeyOOWXURAHLCJATE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.39
Rot. Bonds4

About [1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine

[1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine (PubChem CID 65393215) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine
PubChem CID65393215
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine
SMILESCOc1ccccc1CC1(CN)CCCC(C)C1
InChIInChI=1S/C16H25NO/c1-13-6-5-9-16(10-13,12-17)11-14-7-3-4-8-15(14)18-2/h3-4,7-8,13H,5-6,9-12,17H2,1-2H3
InChIKeyOOWXURAHLCJATE-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]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

[1-[(2-methoxyphenyl)methyl]cyclopentyl]methanamine
CID 62725891
[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65394458
[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine
CID 65394529
[1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine
CID 114277555
1-[(2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65050430
[3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114533952
[1-(1-methoxy-3-methylcyclohexyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105277634
N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62724376
1-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 103808128
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475
1-[1-[(2-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66025080
[1-[(4-chloro-2-nitrophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65393422

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine?
The IUPAC name of [1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine (CID 65393215) is [1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine?
The canonical SMILES for [1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine is COc1ccccc1CC1(CN)CCCC(C)C1.
What is the InChIKey of [1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine?
The InChIKey is OOWXURAHLCJATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-6-5-9-16(10-13,12-17)11-14-7-3-4-8-15(14)18-2/h3-4,7-8,13H,5-6,9-12,17H2,1-2H3.
What are the key properties of [1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine?
[1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine is sourced from PubChem (CID 65393215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).