3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid

C16H23NO2 — CID 104881612

IUPAC3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1[C@@H](C)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C16H23NO2/c1-11-6-3-4-9-15(11)12(2)17-14-8-5-7-13(10-14)16(18)19/h3-4,6,9,12-14,17H,5,7-8,10H2,1-2H3,(H,18,19)/t12-,13?,14?/m1/s1
InChIKeyDCUUAMWKWQHFNB-IYXRBSQSSA-N
MW261.37 g/mol
LogP3.29
Rot. Bonds4

About 3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid

3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 104881612) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID104881612
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1[C@@H](C)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C16H23NO2/c1-11-6-3-4-9-15(11)12(2)17-14-8-5-7-13(10-14)16(18)19/h3-4,6,9,12-14,17H,5,7-8,10H2,1-2H3,(H,18,19)/t12-,13?,14?/m1/s1
InChIKeyDCUUAMWKWQHFNB-IYXRBSQSSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid 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

3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066344
3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561
cis-(1S,3R)-3-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124552970
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 81374284
3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066434
3-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066345
3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid
CID 65066385
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881581
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 114985913
3-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 114083263
cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
3-[1-(5-bromo-2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 82974002

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid (CID 104881612) is 3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid is Cc1ccccc1[C@@H](C)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is DCUUAMWKWQHFNB-IYXRBSQSSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-6-3-4-9-15(11)12(2)17-14-8-5-7-13(10-14)16(18)19/h3-4,6,9,12-14,17H,5,7-8,10H2,1-2H3,(H,18,19)/t12-,13?,14?/m1/s1.
What are the key properties of 3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 261.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104881612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).