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

C18H20ClNO — CID 163391622

IUPAC1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine
SMILESCOc1ccccc1-c1cc(CN2CCCC2)ccc1Cl
InChIInChI=1S/C18H20ClNO/c1-21-18-7-3-2-6-15(18)16-12-14(8-9-17(16)19)13-20-10-4-5-11-20/h2-3,6-9,12H,4-5,10-11,13H2,1H3
InChIKeyTWOLBTAMQGCPAE-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.61
Rot. Bonds4

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

1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine (PubChem CID 163391622) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine
PubChem CID163391622
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine
SMILESCOc1ccccc1-c1cc(CN2CCCC2)ccc1Cl
InChIInChI=1S/C18H20ClNO/c1-21-18-7-3-2-6-15(18)16-12-14(8-9-17(16)19)13-20-10-4-5-11-20/h2-3,6-9,12H,4-5,10-11,13H2,1H3
InChIKeyTWOLBTAMQGCPAE-UHFFFAOYSA-N
XLogP4.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
1-benzyl-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine
CID 1067931
2-chloro-5-(piperidin-1-ylmethyl)phenol
CID 117221593
1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine
CID 155556362
2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol
CID 56883892
2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
CID 65343965
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 1126217
5-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 33020173
(2-chlorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399284
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920554

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine (CID 163391622) is 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine is COc1ccccc1-c1cc(CN2CCCC2)ccc1Cl.
What is the InChIKey of 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine?
The InChIKey is TWOLBTAMQGCPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-21-18-7-3-2-6-15(18)16-12-14(8-9-17(16)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-methoxyphenyl)phenyl]methyl]pyrrolidine?
1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine has a molecular weight of 301.82 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 163391622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).