[(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium

C17H19ClNO2+ — CID 7353670

IUPAC[(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium
SMILESC[NH2+][C@H](C(=O)c1ccccc1)[C@H](OC)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-19-15(16(20)12-6-4-3-5-7-12)17(21-2)13-8-10-14(18)11-9-13/h3-11,15,17,19H,1-2H3/p+1/t15-,17-/m1/s1
InChIKeyKHCZBRQXKFBDLU-NVXWUHKLSA-O
MW304.80 g/mol
LogP2.47
Rot. Bonds6

About [(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium

[(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium (PubChem CID 7353670) has the molecular formula C17H19ClNO2+ and a molecular weight of 304.80 g/mol. Its IUPAC name is [(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium
PubChem CID7353670
Molecular FormulaC17H19ClNO2+
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name[(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium
SMILESC[NH2+][C@H](C(=O)c1ccccc1)[C@H](OC)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-19-15(16(20)12-6-4-3-5-7-12)17(21-2)13-8-10-14(18)11-9-13/h3-11,15,17,19H,1-2H3/p+1/t15-,17-/m1/s1
InChIKeyKHCZBRQXKFBDLU-NVXWUHKLSA-O
XLogP2.47
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
(2R,3R)-2-bromo-3-methoxy-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 164684967
1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene
CID 57271893
(2S,3R)-3-methoxy-2-(methylamino)-1,3-diphenylpropan-1-one
CID 910794
3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one
CID 70489362
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-methoxybenzoate
CID 3276868
1-(4-chlorophenyl)-1-methoxypropan-2-amine
CID 54594037
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
1-(4-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772626
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate
CID 150624704
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 102217695

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium?
The IUPAC name of [(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium (CID 7353670) is [(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium.
What is the SMILES notation for [(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium?
The canonical SMILES for [(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium is C[NH2+][C@H](C(=O)c1ccccc1)[C@H](OC)c1ccc(Cl)cc1.
What is the InChIKey of [(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium?
The InChIKey is KHCZBRQXKFBDLU-NVXWUHKLSA-O. The full InChI is InChI=1S/C17H18ClNO2/c1-19-15(16(20)12-6-4-3-5-7-12)17(21-2)13-8-10-14(18)11-9-13/h3-11,15,17,19H,1-2H3/p+1/t15-,17-/m1/s1.
What are the key properties of [(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium?
[(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium has a molecular weight of 304.80 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-(4-chlorophenyl)-1-methoxy-3-oxo-3-phenylpropan-2-yl]-methylazanium is sourced from PubChem (CID 7353670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).