2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine

C17H24ClNO2 — CID 117494580

IUPAC2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1cc(CC2CCCN2)c(Cl)cc1OC1CCCC1
InChIInChI=1S/C17H24ClNO2/c1-20-16-10-12(9-13-5-4-8-19-13)15(18)11-17(16)21-14-6-2-3-7-14/h10-11,13-14,19H,2-9H2,1H3
InChIKeyWYLHBUOMQHPFLA-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.96
Rot. Bonds5

About 2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine

2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine (PubChem CID 117494580) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine
PubChem CID117494580
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1cc(CC2CCCN2)c(Cl)cc1OC1CCCC1
InChIInChI=1S/C17H24ClNO2/c1-20-16-10-12(9-13-5-4-8-19-13)15(18)11-17(16)21-14-6-2-3-7-14/h10-11,13-14,19H,2-9H2,1H3
InChIKeyWYLHBUOMQHPFLA-UHFFFAOYSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117456463
2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117418732
4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine
CID 117479607
(2S)-2-[[2,5-dimethoxy-4-(propoxymethyl)phenyl]methyl]pyrrolidine
CID 178136967
2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine
CID 117366139
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine
CID 117452803
2-[[4-(difluoromethyl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117459511
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine (CID 117494580) is 2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine is COc1cc(CC2CCCN2)c(Cl)cc1OC1CCCC1.
What is the InChIKey of 2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is WYLHBUOMQHPFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-20-16-10-12(9-13-5-4-8-19-13)15(18)11-17(16)21-14-6-2-3-7-14/h10-11,13-14,19H,2-9H2,1H3.
What are the key properties of 2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine?
2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine has a molecular weight of 309.84 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117494580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).