2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride

C12H18ClNO — CID 23438778

IUPAC2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)c1ccccc1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-3-9(2)11(13)12(14)10-7-5-4-6-8-10;/h4-9,11H,3,13H2,1-2H3;1H
InChIKeyYZLCKHXDNDAGMA-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.66
Rot. Bonds4

About 2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride

2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride (PubChem CID 23438778) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride
PubChem CID23438778
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)c1ccccc1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-3-9(2)11(13)12(14)10-7-5-4-6-8-10;/h4-9,11H,3,13H2,1-2H3;1H
InChIKeyYZLCKHXDNDAGMA-UHFFFAOYSA-N
XLogP2.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-methyl-1-phenylbutan-1-one
CID 23245859
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215
2-fluoro-3-methyl-1-phenylpentan-1-one
CID 10965397
(2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one
CID 99867988
benzyl (2S)-2-amino-3-methylpentanoate;hydrochloride
CID 14074460
2-amino-3-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 116552839
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
2,3-diamino-4-oxo-4-phenylbutanoic acid
CID 172863570
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride (CID 23438778) is 2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride is CCC(C)C(N)C(=O)c1ccccc1.Cl.
What is the InChIKey of 2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride?
The InChIKey is YZLCKHXDNDAGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-3-9(2)11(13)12(14)10-7-5-4-6-8-10;/h4-9,11H,3,13H2,1-2H3;1H.
What are the key properties of 2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride?
2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride is sourced from PubChem (CID 23438778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).