1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone

C15H21NO — CID 107419214

IUPAC1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCC2CCCC2C)cc1
InChIInChI=1S/C15H21NO/c1-11-4-3-5-14(11)10-16-15-8-6-13(7-9-15)12(2)17/h6-9,11,14,16H,3-5,10H2,1-2H3
InChIKeyQXGBWFUPHOYBIH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.74
Rot. Bonds4

About 1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone

1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone (PubChem CID 107419214) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone
PubChem CID107419214
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCC2CCCC2C)cc1
InChIInChI=1S/C15H21NO/c1-11-4-3-5-14(11)10-16-15-8-6-13(7-9-15)12(2)17/h6-9,11,14,16H,3-5,10H2,1-2H3
InChIKeyQXGBWFUPHOYBIH-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide
CID 62181510
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone
CID 59230003
1-[4-(2-cyclobutylethylamino)phenyl]ethanone
CID 114468462
1-[4-(thiolan-2-ylmethylamino)phenyl]ethanone
CID 114468322
1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
CID 115574155
4-[(2-methylcyclopentyl)methylamino]-2-(trifluoromethyl)benzoic acid
CID 107420706
2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95152526
2-amino-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 104500472
2-chloro-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 63511718
4-(cyclobutylmethylamino)benzamide
CID 65459398
3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide
CID 107416557
2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile
CID 107418654

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone (CID 107419214) is 1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone is CC(=O)c1ccc(NCC2CCCC2C)cc1.
What is the InChIKey of 1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone?
The InChIKey is QXGBWFUPHOYBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-4-3-5-14(11)10-16-15-8-6-13(7-9-15)12(2)17/h6-9,11,14,16H,3-5,10H2,1-2H3.
What are the key properties of 1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone?
1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone is sourced from PubChem (CID 107419214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).