2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine

C14H18ClN — CID 66466260

IUPAC2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
SMILESClc1cccc(CC2(C3CC3)CCCN2)c1
InChIInChI=1S/C14H18ClN/c15-13-4-1-3-11(9-13)10-14(12-5-6-12)7-2-8-16-14/h1,3-4,9,12,16H,2,5-8,10H2
InChIKeyBZPSOVRTUKMKHD-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.41
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine

2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine (PubChem CID 66466260) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
PubChem CID66466260
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
SMILESClc1cccc(CC2(C3CC3)CCCN2)c1
InChIInChI=1S/C14H18ClN/c15-13-4-1-3-11(9-13)10-14(12-5-6-12)7-2-8-16-14/h1,3-4,9,12,16H,2,5-8,10H2
InChIKeyBZPSOVRTUKMKHD-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 114856133
2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride
CID 122156828
2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine
CID 66466946
2-[(2-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66468538
2-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66466031
2-[(2-bromophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66468305
2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 79708745
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine
CID 79331073
1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797404
2-[(2-cyclopropylpyrrolidin-2-yl)methyl]-5-ethylpyridine
CID 79748557
3-[(3-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132717

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine (CID 66466260) is 2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine is Clc1cccc(CC2(C3CC3)CCCN2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine?
The InChIKey is BZPSOVRTUKMKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c15-13-4-1-3-11(9-13)10-14(12-5-6-12)7-2-8-16-14/h1,3-4,9,12,16H,2,5-8,10H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine?
2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine has a molecular weight of 235.76 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine is sourced from PubChem (CID 66466260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).