(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride

C13H20ClNO — CID 54757376

IUPAC(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride
SMILESCC(C)[C@@H](N)C(=O)CCc1ccccc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-10(2)13(14)12(15)9-8-11-6-4-3-5-7-11;/h3-7,10,13H,8-9,14H2,1-2H3;1H/t13-;/m1./s1
InChIKeyHMFVZQWAWQRIQT-BTQNPOSSSA-N
MW241.76 g/mol
LogP2.59
Rot. Bonds5

About (4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride

(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride (PubChem CID 54757376) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is (4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride
PubChem CID54757376
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride
SMILESCC(C)[C@@H](N)C(=O)CCc1ccccc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-10(2)13(14)12(15)9-8-11-6-4-3-5-7-11;/h3-7,10,13H,8-9,14H2,1-2H3;1H/t13-;/m1./s1
InChIKeyHMFVZQWAWQRIQT-BTQNPOSSSA-N
XLogP2.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-[3-(aminomethyl)phenyl]-5-methylhexan-3-one
CID 160914194
(4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride
CID 159864162
4-bromo-1-phenylpentan-3-one
CID 121216753
methyl 2-methyl-3-oxo-5-phenylpentanoate
CID 12583050
4-ethyl-1-phenylhexan-3-one
CID 71072308
(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 79012795
4-hydroxy-1-phenylhexan-3-one
CID 103453087
2-methoxy-1,5-diphenylpentan-3-one
CID 50994790
1-phenyl-4-phenylsulfanylpentan-3-one
CID 134935307
(2S)-2-amino-3-methylbutanoic acid;2-phenylacetic acid
CID 67721375
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 61154408
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-phenylbutanoic acid
CID 10850225

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride?
The IUPAC name of (4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride (CID 54757376) is (4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride.
What is the SMILES notation for (4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride?
The canonical SMILES for (4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride is CC(C)[C@@H](N)C(=O)CCc1ccccc1.Cl.
What is the InChIKey of (4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride?
The InChIKey is HMFVZQWAWQRIQT-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-10(2)13(14)12(15)9-8-11-6-4-3-5-7-11;/h3-7,10,13H,8-9,14H2,1-2H3;1H/t13-;/m1./s1.
What are the key properties of (4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride?
(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride is sourced from PubChem (CID 54757376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).