1-[(3-chlorophenyl)methyl]pyrrolidine

C11H14ClN — CID 12738005

IUPAC1-[(3-chlorophenyl)methyl]pyrrolidine
SMILESClc1cccc(CN2CCCC2)c1
InChIInChI=1S/C11H14ClN/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3-5,8H,1-2,6-7,9H2
InChIKeyMPKNYPYSOQRSHH-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.94
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]pyrrolidine

1-[(3-chlorophenyl)methyl]pyrrolidine (PubChem CID 12738005) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]pyrrolidine
PubChem CID12738005
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1-[(3-chlorophenyl)methyl]pyrrolidine
SMILESClc1cccc(CN2CCCC2)c1
InChIInChI=1S/C11H14ClN/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3-5,8H,1-2,6-7,9H2
InChIKeyMPKNYPYSOQRSHH-UHFFFAOYSA-N
XLogP2.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
1-(2-bromoethyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 80675337
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 7026318
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]pyrrolidine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]pyrrolidine (CID 12738005) is 1-[(3-chlorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]pyrrolidine is Clc1cccc(CN2CCCC2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]pyrrolidine?
The InChIKey is MPKNYPYSOQRSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3-5,8H,1-2,6-7,9H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]pyrrolidine?
1-[(3-chlorophenyl)methyl]pyrrolidine has a molecular weight of 195.69 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 12738005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).