N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine

C16H25NO — CID 81397569

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
SMILESCOc1ccccc1[C@@H](C)NC1CCCCC1C
InChIInChI=1S/C16H25NO/c1-12-8-4-6-10-15(12)17-13(2)14-9-5-7-11-16(14)18-3/h5,7,9,11-13,15,17H,4,6,8,10H2,1-3H3/t12?,13-,15?/m1/s1
InChIKeyPYWDRVCUDFTXSM-JVWICGRDSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds4

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine (PubChem CID 81397569) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
PubChem CID81397569
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
SMILESCOc1ccccc1[C@@H](C)NC1CCCCC1C
InChIInChI=1S/C16H25NO/c1-12-8-4-6-10-15(12)17-13(2)14-9-5-7-11-16(14)18-3/h5,7,9,11-13,15,17H,4,6,8,10H2,1-3H3/t12?,13-,15?/m1/s1
InChIKeyPYWDRVCUDFTXSM-JVWICGRDSA-N
XLogP3.92
TPSA21.26 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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-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

N-[1-(2-methoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63278312
2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81396821
2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43079642
2-tert-butyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81389693
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 81397921
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81386978
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
CID 43194983
N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665452
2-ethyl-N-[1-(2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 103783784
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine (CID 81397569) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine is COc1ccccc1[C@@H](C)NC1CCCCC1C.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine?
The InChIKey is PYWDRVCUDFTXSM-JVWICGRDSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-8-4-6-10-15(12)17-13(2)14-9-5-7-11-16(14)18-3/h5,7,9,11-13,15,17H,4,6,8,10H2,1-3H3/t12?,13-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 81397569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).