1-[4-(cyclopentylmethylamino)phenyl]propan-1-one

C15H21NO — CID 114066650

IUPAC1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(NCC2CCCC2)cc1
InChIInChI=1S/C15H21NO/c1-2-15(17)13-7-9-14(10-8-13)16-11-12-5-3-4-6-12/h7-10,12,16H,2-6,11H2,1H3
InChIKeyKGYFPJAKKAASLD-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.88
Rot. Bonds5

About 1-[4-(cyclopentylmethylamino)phenyl]propan-1-one

1-[4-(cyclopentylmethylamino)phenyl]propan-1-one (PubChem CID 114066650) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[4-(cyclopentylmethylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
PubChem CID114066650
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(NCC2CCCC2)cc1
InChIInChI=1S/C15H21NO/c1-2-15(17)13-7-9-14(10-8-13)16-11-12-5-3-4-6-12/h7-10,12,16H,2-6,11H2,1H3
InChIKeyKGYFPJAKKAASLD-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclohexylmethylamino)benzoic acid
CID 13273360
4-(cyclobutylmethylamino)benzamide
CID 65459398
ethyl 4-(cyclopropylmethylamino)benzoate
CID 43654962
N-benzoyl-4-(cyclohexylmethylamino)benzamide
CID 13273362
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578
4-(cyclooctylmethylamino)phenol
CID 53404225
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone
CID 59230003
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422
1-[4-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]propan-1-one
CID 106362345
N-(cyclohexylmethyl)-4-propan-2-yloxyaniline
CID 28969668
1-[4-(3-ethoxypropylamino)phenyl]propan-1-one
CID 114066648
N-(cyclobutylmethyl)-4-(propylamino)benzamide
CID 62170357

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylmethylamino)phenyl]propan-1-one?
The IUPAC name of 1-[4-(cyclopentylmethylamino)phenyl]propan-1-one (CID 114066650) is 1-[4-(cyclopentylmethylamino)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(cyclopentylmethylamino)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(cyclopentylmethylamino)phenyl]propan-1-one is CCC(=O)c1ccc(NCC2CCCC2)cc1.
What is the InChIKey of 1-[4-(cyclopentylmethylamino)phenyl]propan-1-one?
The InChIKey is KGYFPJAKKAASLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-15(17)13-7-9-14(10-8-13)16-11-12-5-3-4-6-12/h7-10,12,16H,2-6,11H2,1H3.
What are the key properties of 1-[4-(cyclopentylmethylamino)phenyl]propan-1-one?
1-[4-(cyclopentylmethylamino)phenyl]propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylmethylamino)phenyl]propan-1-one is sourced from PubChem (CID 114066650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).