trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine

C15H23N — CID 97356100

IUPACtrans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine
SMILESCc1ccccc1[C@@H]1CCCC[C@H]1N(C)C
InChIInChI=1S/C15H23N/c1-12-8-4-5-9-13(12)14-10-6-7-11-15(14)16(2)3/h4-5,8-9,14-15H,6-7,10-11H2,1-3H3/t14-,15+/m0/s1
InChIKeyJVJVUMAHCRTZHP-LSDHHAIUSA-N
MW217.36 g/mol
LogP3.58
Rot. Bonds2

About trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine

trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine (PubChem CID 97356100) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine
PubChem CID97356100
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Nametrans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine
SMILESCc1ccccc1[C@@H]1CCCC[C@H]1N(C)C
InChIInChI=1S/C15H23N/c1-12-8-4-5-9-13(12)14-10-6-7-11-15(14)16(2)3/h4-5,8-9,14-15H,6-7,10-11H2,1-3H3/t14-,15+/m0/s1
InChIKeyJVJVUMAHCRTZHP-LSDHHAIUSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-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,N-dimethyl-2-phenylcyclohexan-1-amine
CID 14946175
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81026613
2-[(1R,2S)-2-(2-methylphenyl)cyclohexyl]sulfanylacetic acid
CID 125464126
2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81028338
2,6-bis[[(1R,2S)-2-(2-methylphenyl)cyclohexyl]oxy]phenol
CID 131858680
5-(2-methylphenyl)-1-oxaspiro[3.5]nonane
CID 156803422
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
1-cyclopentyl-2-methylbenzene;isocyanic acid
CID 88641039
1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
CID 59774098
(1R,2S,3R,4R)-3-(cyclopentylmethylamino)-4-(2-methylphenyl)cyclopentane-1,2-diol
CID 71693831
1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111771296

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine (CID 97356100) is trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine is Cc1ccccc1[C@@H]1CCCC[C@H]1N(C)C.
What is the InChIKey of trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine?
The InChIKey is JVJVUMAHCRTZHP-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H23N/c1-12-8-4-5-9-13(12)14-10-6-7-11-15(14)16(2)3/h4-5,8-9,14-15H,6-7,10-11H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine?
trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 97356100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).