1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride

C15H23ClN2O2 — CID 119684516

IUPAC1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCCOc2ccccc2)CCCC1
InChIInChI=1S/C15H22N2O2.ClH/c16-12-15(8-4-5-9-15)14(18)17-10-11-19-13-6-2-1-3-7-13;/h1-3,6-7H,4-5,8-12,16H2,(H,17,18);1H
InChIKeyINYWZXLCOHCFBP-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.12
Rot. Bonds6

About 1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride

1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119684516) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119684516
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCCOc2ccccc2)CCCC1
InChIInChI=1S/C15H22N2O2.ClH/c16-12-15(8-4-5-9-15)14(18)17-10-11-19-13-6-2-1-3-7-13;/h1-3,6-7H,4-5,8-12,16H2,(H,17,18);1H
InChIKeyINYWZXLCOHCFBP-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
4-(aminomethyl)-N-[2-(4-methylphenoxy)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918344
2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide
CID 104678055
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119271538
1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 62379855
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
N-(2-phenoxyethyl)-4-propylpiperidine-4-carboxamide
CID 63129005
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119274155
4-(aminomethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]oxane-4-carboxamide
CID 120931515
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide
CID 119274156

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride (CID 119684516) is 1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride is Cl.NCC1(C(=O)NCCOc2ccccc2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is INYWZXLCOHCFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c16-12-15(8-4-5-9-15)14(18)17-10-11-19-13-6-2-1-3-7-13;/h1-3,6-7H,4-5,8-12,16H2,(H,17,18);1H.
What are the key properties of 1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride?
1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119684516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).