2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine

C12H15ClFN — CID 117327912

IUPAC2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
SMILESCc1ccc(CC2CCCN2)c(Cl)c1F
InChIInChI=1S/C12H15ClFN/c1-8-4-5-9(11(13)12(8)14)7-10-3-2-6-15-10/h4-5,10,15H,2-3,6-7H2,1H3
InChIKeyLDHPVLZRXKJZCR-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.08
Rot. Bonds2

About 2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine

2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine (PubChem CID 117327912) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
PubChem CID117327912
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
SMILESCc1ccc(CC2CCCN2)c(Cl)c1F
InChIInChI=1S/C12H15ClFN/c1-8-4-5-9(11(13)12(8)14)7-10-3-2-6-15-10/h4-5,10,15H,2-3,6-7H2,1H3
InChIKeyLDHPVLZRXKJZCR-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
CID 117361291
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559
2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine
CID 117348318
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
CID 117118178
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine (CID 117327912) is 2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine is Cc1ccc(CC2CCCN2)c(Cl)c1F.
What is the InChIKey of 2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine?
The InChIKey is LDHPVLZRXKJZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-8-4-5-9(11(13)12(8)14)7-10-3-2-6-15-10/h4-5,10,15H,2-3,6-7H2,1H3.
What are the key properties of 2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine?
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine has a molecular weight of 227.71 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117327912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).