1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one

C15H20ClNO — CID 19823745

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one
SMILESCC(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H20ClNO/c1-11(18)14(17(2)3)15(9-4-10-15)12-5-7-13(16)8-6-12/h5-8,14H,4,9-10H2,1-3H3
InChIKeyBNJNVVFPYYPNKP-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.28
Rot. Bonds4

About 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one

1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one (PubChem CID 19823745) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one
PubChem CID19823745
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one
SMILESCC(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H20ClNO/c1-11(18)14(17(2)3)15(9-4-10-15)12-5-7-13(16)8-6-12/h5-8,14H,4,9-10H2,1-3H3
InChIKeyBNJNVVFPYYPNKP-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;2,3-dihydroxybutanedioic acid
CID 25174320
(Z)-but-2-enedioic acid;(E)-but-2-enedioic acid;bis(1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine)
CID 68752103
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid
CID 68974773
1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)butan-2-one
CID 19823701
1-[1-(4-bromophenyl)cyclobutyl]-1-(dimethylamino)butan-2-one
CID 19823887
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride
CID 19823714
1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;chloride;hydrate
CID 45114241
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine
CID 56621938
(Z)-but-2-enedioic acid;1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-ethylpentan-3-ol
CID 67945554
bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
CID 11697183
N-[[1-(4-chlorophenyl)cyclobutyl]-thiophen-2-ylmethyl]acetamide
CID 57258534

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one (CID 19823745) is 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one is CC(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one?
The InChIKey is BNJNVVFPYYPNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-11(18)14(17(2)3)15(9-4-10-15)12-5-7-13(16)8-6-12/h5-8,14H,4,9-10H2,1-3H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one?
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one has a molecular weight of 265.78 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one is sourced from PubChem (CID 19823745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).