1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine

C18H20ClN — CID 20895828

IUPAC1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine
SMILESCc1cccc(C2CCCN2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN/c1-14-4-2-5-16(12-14)18-6-3-11-20(18)13-15-7-9-17(19)10-8-15/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3
InChIKeyWBGHQGGNMNUUBC-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.99
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine

1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine (PubChem CID 20895828) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine
PubChem CID20895828
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine
SMILESCc1cccc(C2CCCN2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN/c1-14-4-2-5-16(12-14)18-6-3-11-20(18)13-15-7-9-17(19)10-8-15/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3
InChIKeyWBGHQGGNMNUUBC-UHFFFAOYSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol
CID 110923856
(2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine
CID 71091289
4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 41415182
(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
CID 102036806
3-[[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,2,4-triazole
CID 129367242
3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol
CID 15293226
2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
CID 82974669
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
CID 124500070
N-ethyl-N-methyl-3-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]propanamide
CID 97028192
4-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]-N-methylbenzamide
CID 86952073
2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 47065520
(2S)-1-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 95078859

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine (CID 20895828) is 1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine is Cc1cccc(C2CCCN2Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine?
The InChIKey is WBGHQGGNMNUUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-14-4-2-5-16(12-14)18-6-3-11-20(18)13-15-7-9-17(19)10-8-15/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine?
1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine has a molecular weight of 285.82 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine is sourced from PubChem (CID 20895828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).