(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide

C12H17ClN2O — CID 91660689

IUPAC(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NCc1ccc(Cl)cc1C
InChIInChI=1S/C12H17ClN2O/c1-8-6-11(13)5-4-10(8)7-15-9(2)12(16)14-3/h4-6,9,15H,7H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyJISUZTSJVNNTGR-SECBINFHSA-N
MW240.73 g/mol
LogP1.87
Rot. Bonds4

About (2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide

(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide (PubChem CID 91660689) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide
PubChem CID91660689
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NCc1ccc(Cl)cc1C
InChIInChI=1S/C12H17ClN2O/c1-8-6-11(13)5-4-10(8)7-15-9(2)12(16)14-3/h4-6,9,15H,7H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyJISUZTSJVNNTGR-SECBINFHSA-N
XLogP1.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide
CID 61464183
3-[(4-chloro-2-methylphenyl)methylamino]butanamide
CID 104854330
2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057403
2-[(2,5-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057988
(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
CID 94332389
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137
2-[(4-chloro-2-methylphenyl)methylamino]propane-1,3-diol
CID 104854266
(2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103923547
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide
CID 102615565
methyl 2-[(4-chloro-2-methylphenyl)methylamino]-4-methylpentanoate
CID 103275372
2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide
CID 171546068

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide (CID 91660689) is (2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide is CNC(=O)[C@@H](C)NCc1ccc(Cl)cc1C.
What is the InChIKey of (2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide?
The InChIKey is JISUZTSJVNNTGR-SECBINFHSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-6-11(13)5-4-10(8)7-15-9(2)12(16)14-3/h4-6,9,15H,7H2,1-3H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide?
(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide has a molecular weight of 240.73 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 91660689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).