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

C12H16ClN — CID 83688595

IUPAC3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
SMILESCc1cc(Cl)ccc1CC1CCNC1
InChIInChI=1S/C12H16ClN/c1-9-6-12(13)3-2-11(9)7-10-4-5-14-8-10/h2-3,6,10,14H,4-5,7-8H2,1H3
InChIKeyATQPOQGOLCEMMD-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.80
Rot. Bonds2

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

3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine (PubChem CID 83688595) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
PubChem CID83688595
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
SMILESCc1cc(Cl)ccc1CC1CCNC1
InChIInChI=1S/C12H16ClN/c1-9-6-12(13)3-2-11(9)7-10-4-5-14-8-10/h2-3,6,10,14H,4-5,7-8H2,1H3
InChIKeyATQPOQGOLCEMMD-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol
CID 84790581
3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine
CID 84802962
3-[(2-chloro-3-methoxy-4-methylphenyl)methyl]pyrrolidine
CID 84800053
3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine
CID 84791855
3-[(2-bromo-4-methylphenyl)methyl]pyrrolidine
CID 84804659
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one
CID 84639003
3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84789080
4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine
CID 117387719
4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84793216
3-[(2,4-dimethylphenyl)methyl]azetidine
CID 16780033

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine (CID 83688595) is 3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine is Cc1cc(Cl)ccc1CC1CCNC1.
What is the InChIKey of 3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine?
The InChIKey is ATQPOQGOLCEMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-6-12(13)3-2-11(9)7-10-4-5-14-8-10/h2-3,6,10,14H,4-5,7-8H2,1H3.
What are the key properties of 3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine?
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 83688595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).