1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine

C17H18ClN — CID 163391634

IUPAC1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine
SMILESClc1ccc(CN2CCCC2)cc1-c1ccccc1
InChIInChI=1S/C17H18ClN/c18-17-9-8-14(13-19-10-4-5-11-19)12-16(17)15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13H2
InChIKeyVJSPXEXNUBUQHO-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.60
Rot. Bonds3

About 1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine

1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine (PubChem CID 163391634) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine
PubChem CID163391634
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine
SMILESClc1ccc(CN2CCCC2)cc1-c1ccccc1
InChIInChI=1S/C17H18ClN/c18-17-9-8-14(13-19-10-4-5-11-19)12-16(17)15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13H2
InChIKeyVJSPXEXNUBUQHO-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrobutamine
CID 8669
1-[(2E)-4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidine
CID 5284614
1-[[4-[(4-Chlorophenyl)-phenyl-pyrrolidin-1-ylmethyl]phenyl]methyl]pyrrolidine
CID 16108918
4-(4-Chloro-phenyl)-1-(4-phenyl-butyl)-1,2,3,6-tetrahydro-pyridine
CID 18790204
Pyrrolidine, 2-(4-chlorophenyl)-1-methyl-
CID 44387149
1-(4-Chlorobenzyl)-4-phenylpiperidine
CID 3780175
1-Benzyl-4-(2,4-dichlorophenyl)pyrrolidin-3-amine
CID 44440618
1-[(2-Chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 742594
4-Benzyl-1-(2-chlorobenzyl)piperidine
CID 1377195
Exo-8-[bis(2-chorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane
CID 44249046
N'-[[4-(4-chlorophenyl)phenyl]methyl]-N'-methylbutane-1,4-diamine
CID 44534320
3-(4-Chloro-3-methylphenyl)-1-methyl-2,3,4,7-tetrahydroazepine
CID 71541187

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine?
The IUPAC name of 1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine (CID 163391634) is 1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine is Clc1ccc(CN2CCCC2)cc1-c1ccccc1.
What is the InChIKey of 1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine?
The InChIKey is VJSPXEXNUBUQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c18-17-9-8-14(13-19-10-4-5-11-19)12-16(17)15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13H2.
What are the key properties of 1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine?
1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine has a molecular weight of 271.79 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-phenylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 163391634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).