(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

C14H19ClN2O — CID 94613388

IUPAC(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](NCc1cccc(Cl)c1)C(=O)N1CCCC1
InChIInChI=1S/C14H19ClN2O/c1-11(14(18)17-7-2-3-8-17)16-10-12-5-4-6-13(15)9-12/h4-6,9,11,16H,2-3,7-8,10H2,1H3/t11-/m0/s1
InChIKeyTVJAMENDPDKBAK-NSHDSACASA-N
MW266.77 g/mol
LogP2.44
Rot. Bonds4

About (2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 94613388) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID94613388
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](NCc1cccc(Cl)c1)C(=O)N1CCCC1
InChIInChI=1S/C14H19ClN2O/c1-11(14(18)17-7-2-3-8-17)16-10-12-5-4-6-13(15)9-12/h4-6,9,11,16H,2-3,7-8,10H2,1H3/t11-/m0/s1
InChIKeyTVJAMENDPDKBAK-NSHDSACASA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-[(3-chlorophenyl)methylamino]propan-1-one
CID 60677398
2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615288
2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931628
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
2-[(4-chloro-3-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615287
2-[(4-fluoro-3-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683720
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115588889
2-[(2-chloro-6-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115625678
2-[3-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]phenoxy]acetonitrile
CID 115625474
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
2-[(3-chloro-2-fluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115664155
2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115579711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 94613388) is (2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is C[C@H](NCc1cccc(Cl)c1)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is TVJAMENDPDKBAK-NSHDSACASA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-11(14(18)17-7-2-3-8-17)16-10-12-5-4-6-13(15)9-12/h4-6,9,11,16H,2-3,7-8,10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 266.77 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 94613388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).