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

C18H20ClN — CID 163391633

IUPAC1-[[4-chloro-3-(2-methylphenyl)phenyl]methyl]pyrrolidine
SMILESCc1ccccc1-c1cc(CN2CCCC2)ccc1Cl
InChIInChI=1S/C18H20ClN/c1-14-6-2-3-7-16(14)17-12-15(8-9-18(17)19)13-20-10-4-5-11-20/h2-3,6-9,12H,4-5,10-11,13H2,1H3
InChIKeyUSYHCARAYWSXAB-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.91
Rot. Bonds3

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

1-[[4-chloro-3-(2-methylphenyl)phenyl]methyl]pyrrolidine (PubChem CID 163391633) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-[[4-chloro-3-(2-methylphenyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[4-chloro-3-(2-methylphenyl)phenyl]methyl]pyrrolidine
PubChem CID163391633
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name1-[[4-chloro-3-(2-methylphenyl)phenyl]methyl]pyrrolidine
SMILESCc1ccccc1-c1cc(CN2CCCC2)ccc1Cl
InChIInChI=1S/C18H20ClN/c1-14-6-2-3-7-16(14)17-12-15(8-9-18(17)19)13-20-10-4-5-11-20/h2-3,6-9,12H,4-5,10-11,13H2,1H3
InChIKeyUSYHCARAYWSXAB-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 8669
1-[(2E)-4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidine
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CID 9795462
4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 10355130
Pyrrolidine, 2-(4-chlorophenyl)-1-methyl-
CID 44387149
1-(4-Chlorobenzyl)-4-phenylpiperidine
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4-(6-chloro-2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 11726130
(6R,10bS)-6-(4-chlorophenyl)-10b-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline
CID 44282421
(2-(3,4-dichlorobenzyl)phenyl)-N,N-dimethylmethanamine
CID 44568653
3-(4-Chloro-3-methylphenyl)-1-methyl-2,3,4,7-tetrahydroazepine
CID 71541187
(E)-3-(4-chlorophenyl)-N-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 127044326

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-3-(2-methylphenyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 1-[[4-chloro-3-(2-methylphenyl)phenyl]methyl]pyrrolidine (CID 163391633) is 1-[[4-chloro-3-(2-methylphenyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[4-chloro-3-(2-methylphenyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[4-chloro-3-(2-methylphenyl)phenyl]methyl]pyrrolidine is Cc1ccccc1-c1cc(CN2CCCC2)ccc1Cl.
What is the InChIKey of 1-[[4-chloro-3-(2-methylphenyl)phenyl]methyl]pyrrolidine?
The InChIKey is USYHCARAYWSXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-14-6-2-3-7-16(14)17-12-15(8-9-18(17)19)13-20-10-4-5-11-20/h2-3,6-9,12H,4-5,10-11,13H2,1H3.
What are the key properties of 1-[[4-chloro-3-(2-methylphenyl)phenyl]methyl]pyrrolidine?
1-[[4-chloro-3-(2-methylphenyl)phenyl]methyl]pyrrolidine has a molecular weight of 285.82 g/mol, XLogP of 4.91, 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-(2-methylphenyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 163391633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).