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

C14H19NO — CID 57039935

IUPAC2-[(2-phenylethylamino)methyl]cyclopentan-1-one
SMILESO=C1CCCC1CNCCc1ccccc1
InChIInChI=1S/C14H19NO/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
InChIKeyULFFYSQMNCJPTF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.19
Rot. Bonds5

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

2-[(2-phenylethylamino)methyl]cyclopentan-1-one (PubChem CID 57039935) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(2-phenylethylamino)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(2-phenylethylamino)methyl]cyclopentan-1-one
PubChem CID57039935
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[(2-phenylethylamino)methyl]cyclopentan-1-one
SMILESO=C1CCCC1CNCCc1ccccc1
InChIInChI=1S/C14H19NO/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
InChIKeyULFFYSQMNCJPTF-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.19
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

(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
CID 155618148
N-(2-Phenylethyl)-isobutyramide
CID 290550
1-Phenyl-1-(piperidin-2-yl)propan-2-one
CID 16102777
2-cyclohexyl-N-phenethyl-acetamide
CID 1121089
N-(3-phenylpropyl)cyclohexanecarboxamide
CID 2163843
CID 162516977
CID 162516977
N-pentyl-3-phenylpropanamide
CID 1744191
N-(2-methylpropyl)-2-phenylacetamide
CID 668859
N-butyl-2-phenylacetamide
CID 221447
N-benzylcyclopentanecarboxamide
CID 835634
N-isopentyl-4-phenylbutanamide
CID 1725703
N-(2-methylpropyl)-4-phenylbutanamide
CID 2906742

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylethylamino)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(2-phenylethylamino)methyl]cyclopentan-1-one (CID 57039935) is 2-[(2-phenylethylamino)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(2-phenylethylamino)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(2-phenylethylamino)methyl]cyclopentan-1-one is O=C1CCCC1CNCCc1ccccc1.
What is the InChIKey of 2-[(2-phenylethylamino)methyl]cyclopentan-1-one?
The InChIKey is ULFFYSQMNCJPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/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.
What are the key properties of 2-[(2-phenylethylamino)methyl]cyclopentan-1-one?
2-[(2-phenylethylamino)methyl]cyclopentan-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.19, 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 is sourced from PubChem (CID 57039935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).