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

C17H18ClN — CID 163391630

IUPAC1-[[3-(3-chlorophenyl)phenyl]methyl]pyrrolidine
SMILESClc1cccc(-c2cccc(CN3CCCC3)c2)c1
InChIInChI=1S/C17H18ClN/c18-17-8-4-7-16(12-17)15-6-3-5-14(11-15)13-19-9-1-2-10-19/h3-8,11-12H,1-2,9-10,13H2
InChIKeyRVONDLAOGBQENE-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.60
Rot. Bonds3

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

1-[[3-(3-chlorophenyl)phenyl]methyl]pyrrolidine (PubChem CID 163391630) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[3-(3-chlorophenyl)phenyl]methyl]pyrrolidine
PubChem CID163391630
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name1-[[3-(3-chlorophenyl)phenyl]methyl]pyrrolidine
SMILESClc1cccc(-c2cccc(CN3CCCC3)c2)c1
InChIInChI=1S/C17H18ClN/c18-17-8-4-7-16(12-17)15-6-3-5-14(11-15)13-19-9-1-2-10-19/h3-8,11-12H,1-2,9-10,13H2
InChIKeyRVONDLAOGBQENE-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-Benzyl-4-(3-chlorobenzyl)piperazine
CID 765219
1-[[(3S,4S)-1-benzyl-4-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-phenyl-piperidine
CID 489829
4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 9838350
1-(4-Chlorobenzyl)-4-phenylpiperidine
CID 3780175
4-Benzyl-1-(3-chlorobenzyl)piperidine
CID 785748
4-Benzyl-1-(2-chlorobenzyl)piperidine
CID 1377195
(E)-3-(4-chlorophenyl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 127044980
N-[[3-(3-chloro-4-fluorophenyl)phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 137636624
1-[3-(4-Chlorophenyl)-4-phenylbutyl]pyrrolidine
CID 4887421
N-[[4-(4-chlorophenyl)phenyl]methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 21936230

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chlorophenyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 1-[[3-(3-chlorophenyl)phenyl]methyl]pyrrolidine (CID 163391630) is 1-[[3-(3-chlorophenyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[3-(3-chlorophenyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[3-(3-chlorophenyl)phenyl]methyl]pyrrolidine is Clc1cccc(-c2cccc(CN3CCCC3)c2)c1.
What is the InChIKey of 1-[[3-(3-chlorophenyl)phenyl]methyl]pyrrolidine?
The InChIKey is RVONDLAOGBQENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c18-17-8-4-7-16(12-17)15-6-3-5-14(11-15)13-19-9-1-2-10-19/h3-8,11-12H,1-2,9-10,13H2.
What are the key properties of 1-[[3-(3-chlorophenyl)phenyl]methyl]pyrrolidine?
1-[[3-(3-chlorophenyl)phenyl]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-[[3-(3-chlorophenyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 163391630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).