trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine

C16H25NO — CID 784361

IUPACtrans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccc(CCN[C@@H]2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C16H25NO/c1-13-4-3-5-15(12-13)17-11-10-14-6-8-16(18-2)9-7-14/h6-9,13,15,17H,3-5,10-12H2,1-2H3/t13-,15-/m1/s1
InChIKeySBEGRBHIEYEKSK-UKRRQHHQSA-N
MW247.38 g/mol
LogP3.41
Rot. Bonds5

About trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine

trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine (PubChem CID 784361) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
PubChem CID784361
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nametrans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccc(CCN[C@@H]2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C16H25NO/c1-13-4-3-5-15(12-13)17-11-10-14-6-8-16(18-2)9-7-14/h6-9,13,15,17H,3-5,10-12H2,1-2H3/t13-,15-/m1/s1
InChIKeySBEGRBHIEYEKSK-UKRRQHHQSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-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

(+-)-p-Methoxyamphetamine
CID 31721
Fluoxetine
CID 3386
Atomoxetine
CID 54841
O-Methyltyramine
CID 4657
Methoxyphenamine
CID 4117
4-Methoxymethamphetamine
CID 90766
N-Desmethylvenlafaxine
CID 3501942
(S)-Fluoxetine
CID 1548968
4-Methoxy-N-methylbenzeneethanamine
CID 104735
Methoxyphenamine Hydrochloride
CID 9859211
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 6850813
4-Ethoxy-alpha-methylbenzeneethanamine
CID 125379

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine (CID 784361) is trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine is COc1ccc(CCN[C@@H]2CCC[C@@H](C)C2)cc1.
What is the InChIKey of trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is SBEGRBHIEYEKSK-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-4-3-5-15(12-13)17-11-10-14-6-8-16(18-2)9-7-14/h6-9,13,15,17H,3-5,10-12H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine?
trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 784361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).