2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride

C15H24ClNO — CID 172871870

IUPAC2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride
SMILESCCCC(NC(C)CC)C(=O)c1ccccc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-4-9-14(16-12(3)5-2)15(17)13-10-7-6-8-11-13;/h6-8,10-12,14,16H,4-5,9H2,1-3H3;1H
InChIKeyVRZSRGPRHSWJFV-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.85
Rot. Bonds7

About 2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride

2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride (PubChem CID 172871870) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride
PubChem CID172871870
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride
SMILESCCCC(NC(C)CC)C(=O)c1ccccc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-4-9-14(16-12(3)5-2)15(17)13-10-7-6-8-11-13;/h6-8,10-12,14,16H,4-5,9H2,1-3H3;1H
InChIKeyVRZSRGPRHSWJFV-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride
CID 22297830
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-(methylamino)pentan-1-one
CID 76974159
2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone
CID 70513847
(2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one
CID 121488314
4-chloro-2-methyl-1-phenylheptan-1-one
CID 20528468
3-(butan-2-ylamino)-4-(4-ethylphenyl)-4-oxobutanoic acid
CID 82322343
N-(2-methyl-3-oxoheptan-4-yl)benzamide
CID 174885665
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate
CID 82347400
2-methyl-N-phenylpentanamide
CID 4627801
2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride
CID 23438778
S-methyl 2-(butan-2-ylamino)-3-phenylpropanethioate
CID 154981555

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride?
The IUPAC name of 2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride (CID 172871870) is 2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride?
The canonical SMILES for 2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride is CCCC(NC(C)CC)C(=O)c1ccccc1.Cl.
What is the InChIKey of 2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride?
The InChIKey is VRZSRGPRHSWJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-4-9-14(16-12(3)5-2)15(17)13-10-7-6-8-11-13;/h6-8,10-12,14,16H,4-5,9H2,1-3H3;1H.
What are the key properties of 2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride?
2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride is sourced from PubChem (CID 172871870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).