2-(3-chloro-4-cyclohexylphenyl)pyrrolidine

C16H22ClN — CID 117414258

IUPAC2-(3-chloro-4-cyclohexylphenyl)pyrrolidine
SMILESClc1cc(C2CCCN2)ccc1C1CCCCC1
InChIInChI=1S/C16H22ClN/c17-15-11-13(16-7-4-10-18-16)8-9-14(15)12-5-2-1-3-6-12/h8-9,11-12,16,18H,1-7,10H2
InChIKeyHBODBYNUIYIOFT-UHFFFAOYSA-N
MW263.81 g/mol
LogP4.81
Rot. Bonds2

About 2-(3-chloro-4-cyclohexylphenyl)pyrrolidine

2-(3-chloro-4-cyclohexylphenyl)pyrrolidine (PubChem CID 117414258) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is 2-(3-chloro-4-cyclohexylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-chloro-4-cyclohexylphenyl)pyrrolidine
PubChem CID117414258
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name2-(3-chloro-4-cyclohexylphenyl)pyrrolidine
SMILESClc1cc(C2CCCN2)ccc1C1CCCCC1
InChIInChI=1S/C16H22ClN/c17-15-11-13(16-7-4-10-18-16)8-9-14(15)12-5-2-1-3-6-12/h8-9,11-12,16,18H,1-7,10H2
InChIKeyHBODBYNUIYIOFT-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-chloro-4-cyclohexylphenyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-cyclohexylphenyl)pyrrolidine
CID 117493208
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine
CID 117447151
2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene
CID 18962081
2-chloro-4-[(2R)-piperidin-2-yl]aniline
CID 130690862
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
2-(3-chlorophenyl)azepane;hydrochloride
CID 46835309
(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196154
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-cyclohexylphenyl)pyrrolidine?
The IUPAC name of 2-(3-chloro-4-cyclohexylphenyl)pyrrolidine (CID 117414258) is 2-(3-chloro-4-cyclohexylphenyl)pyrrolidine.
What is the SMILES notation for 2-(3-chloro-4-cyclohexylphenyl)pyrrolidine?
The canonical SMILES for 2-(3-chloro-4-cyclohexylphenyl)pyrrolidine is Clc1cc(C2CCCN2)ccc1C1CCCCC1.
What is the InChIKey of 2-(3-chloro-4-cyclohexylphenyl)pyrrolidine?
The InChIKey is HBODBYNUIYIOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c17-15-11-13(16-7-4-10-18-16)8-9-14(15)12-5-2-1-3-6-12/h8-9,11-12,16,18H,1-7,10H2.
What are the key properties of 2-(3-chloro-4-cyclohexylphenyl)pyrrolidine?
2-(3-chloro-4-cyclohexylphenyl)pyrrolidine has a molecular weight of 263.81 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-cyclohexylphenyl)pyrrolidine is sourced from PubChem (CID 117414258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).