N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride

C15H23ClN2O — CID 119260663

IUPACN-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C15H22N2O.ClH/c16-14-8-6-12(7-9-14)10-11-17-15(18)13-4-2-1-3-5-13;/h6-9,13H,1-5,10-11,16H2,(H,17,18);1H
InChIKeyAPHYALREXUJJKT-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.93
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride (PubChem CID 119260663) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
PubChem CID119260663
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C15H22N2O.ClH/c16-14-8-6-12(7-9-14)10-11-17-15(18)13-4-2-1-3-5-13;/h6-9,13H,1-5,10-11,16H2,(H,17,18);1H
InChIKeyAPHYALREXUJJKT-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099
N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 81479001
4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119548200
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
N-[2-(4-aminophenyl)ethyl]-1,1-dioxothiane-2-carboxamide
CID 104517302
N-[2-(4-aminophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 81478476
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
CID 30148136
N-[2-[4-(2-nitroacetyl)phenyl]ethyl]cyclooctanecarboxamide
CID 155248258
N-[2-(4-aminophenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119547681
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride (CID 119260663) is N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride is Cl.Nc1ccc(CCNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is APHYALREXUJJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c16-14-8-6-12(7-9-14)10-11-17-15(18)13-4-2-1-3-5-13;/h6-9,13H,1-5,10-11,16H2,(H,17,18);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 119260663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).