3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine

C16H22ClNO2 — CID 117476790

IUPAC3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine
SMILESCOc1cc(C2CCNC2)cc(Cl)c1OC1CCCC1
InChIInChI=1S/C16H22ClNO2/c1-19-15-9-12(11-6-7-18-10-11)8-14(17)16(15)20-13-4-2-3-5-13/h8-9,11,13,18H,2-7,10H2,1H3
InChIKeyZFGRBPWMADDIPL-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.75
Rot. Bonds4

About 3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine

3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine (PubChem CID 117476790) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine
PubChem CID117476790
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine
SMILESCOc1cc(C2CCNC2)cc(Cl)c1OC1CCCC1
InChIInChI=1S/C16H22ClNO2/c1-19-15-9-12(11-6-7-18-10-11)8-14(17)16(15)20-13-4-2-3-5-13/h8-9,11,13,18H,2-7,10H2,1H3
InChIKeyZFGRBPWMADDIPL-UHFFFAOYSA-N
XLogP3.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
CID 117382800
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
3-(3-chloro-5-methoxy-4-propan-2-ylphenyl)pyrrolidine
CID 117387946
3-chloro-4-cyclopentyloxy-5-methoxyphenol
CID 84703480
3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine
CID 117452505
3-(3-chloro-4-methoxy-5-methylsulfonylphenyl)pyrrolidine
CID 117468030
3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
CID 169498562
3-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]pyrrolidine
CID 117430881
3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048
3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965
O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine
CID 117432318
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid
CID 117481061

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine?
The IUPAC name of 3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine (CID 117476790) is 3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine is COc1cc(C2CCNC2)cc(Cl)c1OC1CCCC1.
What is the InChIKey of 3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine?
The InChIKey is ZFGRBPWMADDIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-19-15-9-12(11-6-7-18-10-11)8-14(17)16(15)20-13-4-2-3-5-13/h8-9,11,13,18H,2-7,10H2,1H3.
What are the key properties of 3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine?
3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine has a molecular weight of 295.81 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 117476790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).