2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

C15H21ClN2O — CID 106863116

IUPAC2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(CNC(C)C(=O)N2CCCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-11-5-6-13(14(16)9-11)10-17-12(2)15(19)18-7-3-4-8-18/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3
InChIKeyDFZCULZJDKHWCP-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.75
Rot. Bonds4

About 2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 106863116) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID106863116
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(CNC(C)C(=O)N2CCCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-11-5-6-13(14(16)9-11)10-17-12(2)15(19)18-7-3-4-8-18/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3
InChIKeyDFZCULZJDKHWCP-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 115652632
3-chloro-4-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]benzonitrile
CID 102665017
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 106863106
2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115595203
2-[(3-chloro-2-fluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115664155
2-[(2-chloro-4-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 106862474
1-pyrrolidin-1-yl-2-[(2,3,4-trihydroxyphenyl)methylamino]propan-1-one
CID 107731003
2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62392311
2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62050086
2-[(2-chloro-6-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115625678
(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 94613388

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 106863116) is 2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is Cc1ccc(CNC(C)C(=O)N2CCCC2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is DFZCULZJDKHWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-5-6-13(14(16)9-11)10-17-12(2)15(19)18-7-3-4-8-18/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 280.80 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 106863116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).