2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride

C14H20ClNO — CID 70543037

IUPAC2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride
SMILESCl.O=C1CCCC1CNCCc1ccccc1
InChIInChI=1S/C14H19NO.ClH/c16-14-8-4-7-13(14)11-15-10-9-12-5-2-1-3-6-12;/h1-3,5-6,13,15H,4,7-11H2;1H
InChIKeyBXSQEMPJXAXNOF-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.61
Rot. Bonds5

About 2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride

2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride (PubChem CID 70543037) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride
PubChem CID70543037
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride
SMILESCl.O=C1CCCC1CNCCc1ccccc1
InChIInChI=1S/C14H19NO.ClH/c16-14-8-4-7-13(14)11-15-10-9-12-5-2-1-3-6-12;/h1-3,5-6,13,15H,4,7-11H2;1H
InChIKeyBXSQEMPJXAXNOF-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-phenylethylamino)methyl]cyclopentan-1-one
CID 57039935
2-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-one
CID 110176147
2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 10062167
3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63771754
2-(3-phenylpropyl)cyclotetradecan-1-one
CID 140989755
2-(anilinomethyl)cyclohexan-1-one
CID 5124941
2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one
CID 110176156
2-(hydroxymethyl)-5-[(2-phenylethylamino)methyl]-6,7-dihydro-5H-1-benzothiophen-4-one
CID 14721583
4-[(2-phenylethylamino)methyl]cyclohexan-1-amine
CID 59231059
(3S)-3-[(2-phenylethylamino)methyl]-2,3-dihydrochromen-4-one
CID 97355769
2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one
CID 141155106
2-(3-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 63771762

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride?
The IUPAC name of 2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride (CID 70543037) is 2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride.
What is the SMILES notation for 2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride?
The canonical SMILES for 2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride is Cl.O=C1CCCC1CNCCc1ccccc1.
What is the InChIKey of 2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride?
The InChIKey is BXSQEMPJXAXNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c16-14-8-4-7-13(14)11-15-10-9-12-5-2-1-3-6-12;/h1-3,5-6,13,15H,4,7-11H2;1H.
What are the key properties of 2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride?
2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylethylamino)methyl]cyclopentan-1-one;hydrochloride is sourced from PubChem (CID 70543037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).