4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid

C16H23NO3 — CID 103466167

IUPAC4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid
SMILESCOCC(NC1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-20-11-15(12-5-3-2-4-6-12)17-14-9-7-13(8-10-14)16(18)19/h2-6,13-15,17H,7-11H2,1H3,(H,18,19)
InChIKeyUDYGHFREAQBXRY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.61
Rot. Bonds6

About 4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid

4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 103466167) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID103466167
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid
SMILESCOCC(NC1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-20-11-15(12-5-3-2-4-6-12)17-14-9-7-13(8-10-14)16(18)19/h2-6,13-15,17H,7-11H2,1H3,(H,18,19)
InChIKeyUDYGHFREAQBXRY-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methoxy-1-phenylethyl)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

N-(2-methoxy-1-phenylethyl)cyclopentanamine
CID 84596036
4-[(3-methyl-1-phenylbutyl)amino]cyclohexane-1-carboxylic acid
CID 65054767
4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid
CID 122034366
N-(2-methoxy-1-phenylethyl)oxolan-3-amine
CID 115889939
4-[[1-(3,4-dichlorophenyl)-3-methoxypropyl]amino]cyclohexane-1-carboxylic acid
CID 122034062
N-(2-methoxy-1-phenylethyl)-1-methylpyrrolidin-3-amine
CID 103902264
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
4-[[3-methyl-1-(2-propoxyphenyl)butyl]amino]cyclohexane-1-carboxylic acid
CID 122031839
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid (CID 103466167) is 4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid is COCC(NC1CCC(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UDYGHFREAQBXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-11-15(12-5-3-2-4-6-12)17-14-9-7-13(8-10-14)16(18)19/h2-6,13-15,17H,7-11H2,1H3,(H,18,19).
What are the key properties of 4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103466167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).