2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride

C14H20ClNO2 — CID 175015594

IUPAC2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNC1(c2ccccc2)CCCCC1
InChIInChI=1S/C14H19NO2.ClH/c16-13(17)11-15-14(9-5-2-6-10-14)12-7-3-1-4-8-12;/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,16,17);1H
InChIKeyLCWKEKNMTLWEML-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.94
Rot. Bonds4

About 2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride

2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride (PubChem CID 175015594) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride
PubChem CID175015594
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNC1(c2ccccc2)CCCCC1
InChIInChI=1S/C14H19NO2.ClH/c16-13(17)11-15-14(9-5-2-6-10-14)12-7-3-1-4-8-12;/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,16,17);1H
InChIKeyLCWKEKNMTLWEML-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride
CID 119033400
ethyl 2-[(1-phenylcyclohexyl)amino]acetate
CID 97355903
acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine
CID 19095095
4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid
CID 110465792
N-benzyl-1-phenylcyclohexan-1-amine
CID 76851721
N-(2-fluoroethyl)-1-phenylcyclohexan-1-amine
CID 175837141
N-(1-phenylcyclooctyl)hydroxylamine
CID 163440623
N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride
CID 71315071
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749
N-(4-methyl-3-pyridinyl)-2-[(1-phenylcyclohexyl)amino]acetamide
CID 154725397
N-(1-phenylcyclohexyl)butanamide
CID 110478581
1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 53299308

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride (CID 175015594) is 2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride is Cl.O=C(O)CNC1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride?
The InChIKey is LCWKEKNMTLWEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c16-13(17)11-15-14(9-5-2-6-10-14)12-7-3-1-4-8-12;/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,16,17);1H.
What are the key properties of 2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride?
2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 175015594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).