(2R)-2-amino-1-(3-chlorophenyl)propan-1-one

C9H10ClNO — CID 58665961

IUPAC(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
SMILESC[C@@H](N)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6H,11H2,1H3/t6-/m1/s1
InChIKeyRDWWHMAISJGIDU-ZCFIWIBFSA-N
MW183.64 g/mol
LogP1.87
Rot. Bonds2

About (2R)-2-amino-1-(3-chlorophenyl)propan-1-one

(2R)-2-amino-1-(3-chlorophenyl)propan-1-one (PubChem CID 58665961) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
PubChem CID58665961
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
SMILESC[C@@H](N)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6H,11H2,1H3/t6-/m1/s1
InChIKeyRDWWHMAISJGIDU-ZCFIWIBFSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-chlorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116599007
2-amino-1-(3-chlorophenyl)-3-phenylpropane-1,3-dione
CID 142644017
1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one
CID 157068093
2-amino-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601034
2-amino-1-(3-ethylphenyl)propan-1-one
CID 57124216
2-amino-1-[3-(dimethylamino)phenyl]propan-1-one
CID 57002275
CID 87798938
CID 87798938
1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400
3-chlorobenzenecarboperoxoic acid;methanamine
CID 172721776
(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119278856
(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 102183228
(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
CID 73416166

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-chlorophenyl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(3-chlorophenyl)propan-1-one (CID 58665961) is (2R)-2-amino-1-(3-chlorophenyl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3-chlorophenyl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3-chlorophenyl)propan-1-one is C[C@@H](N)C(=O)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-amino-1-(3-chlorophenyl)propan-1-one?
The InChIKey is RDWWHMAISJGIDU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6H,11H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3-chlorophenyl)propan-1-one?
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one has a molecular weight of 183.64 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3-chlorophenyl)propan-1-one is sourced from PubChem (CID 58665961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).