(4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride

C14H22ClNO2 — CID 159864162

IUPAC(4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride
SMILESCOc1ccc(CCC(=O)[C@H](N)C(C)C)cc1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-10(2)14(15)13(16)9-6-11-4-7-12(17-3)8-5-11;/h4-5,7-8,10,14H,6,9,15H2,1-3H3;1H/t14-;/m1./s1
InChIKeyLRWSEVAROOOFBC-PFEQFJNWSA-N
MW271.79 g/mol
LogP2.60
Rot. Bonds6

About (4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride

(4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride (PubChem CID 159864162) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is (4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride
PubChem CID159864162
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name(4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride
SMILESCOc1ccc(CCC(=O)[C@H](N)C(C)C)cc1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-10(2)14(15)13(16)9-6-11-4-7-12(17-3)8-5-11;/h4-5,7-8,10,14H,6,9,15H2,1-3H3;1H/t14-;/m1./s1
InChIKeyLRWSEVAROOOFBC-PFEQFJNWSA-N
XLogP2.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride
CID 54757376
(4R)-1,4-bis(4-methoxyphenyl)pentan-3-one
CID 166438923
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide
CID 112510933
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 43625070

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride?
The IUPAC name of (4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride (CID 159864162) is (4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride.
What is the SMILES notation for (4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride?
The canonical SMILES for (4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride is COc1ccc(CCC(=O)[C@H](N)C(C)C)cc1.Cl.
What is the InChIKey of (4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride?
The InChIKey is LRWSEVAROOOFBC-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-10(2)14(15)13(16)9-6-11-4-7-12(17-3)8-5-11;/h4-5,7-8,10,14H,6,9,15H2,1-3H3;1H/t14-;/m1./s1.
What are the key properties of (4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride?
(4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride is sourced from PubChem (CID 159864162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).