2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine

C15H20ClNO2 — CID 117452488

IUPAC2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine
SMILESCOc1cc(C2CCCN2)cc(Cl)c1OCC1CC1
InChIInChI=1S/C15H20ClNO2/c1-18-14-8-11(13-3-2-6-17-13)7-12(16)15(14)19-9-10-4-5-10/h7-8,10,13,17H,2-6,9H2,1H3
InChIKeyJTAMJCRLBWJZAU-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.56
Rot. Bonds5

About 2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine

2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine (PubChem CID 117452488) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine
PubChem CID117452488
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine
SMILESCOc1cc(C2CCCN2)cc(Cl)c1OCC1CC1
InChIInChI=1S/C15H20ClNO2/c1-18-14-8-11(13-3-2-6-17-13)7-12(16)15(14)19-9-10-4-5-10/h7-8,10,13,17H,2-6,9H2,1H3
InChIKeyJTAMJCRLBWJZAU-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642
2-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]pyrrolidine
CID 117476757
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine
CID 117371452
2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
CID 66519193
2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196156
2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]piperidine
CID 117476719
2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine
CID 117449166
CID 176965942
CID 176965942
(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine
CID 131358748
1-chloro-5-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65460365
5-(bromomethyl)-1-chloro-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65456921
5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63536015

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine?
The IUPAC name of 2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine (CID 117452488) is 2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine.
What is the SMILES notation for 2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine?
The canonical SMILES for 2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine is COc1cc(C2CCCN2)cc(Cl)c1OCC1CC1.
What is the InChIKey of 2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine?
The InChIKey is JTAMJCRLBWJZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-18-14-8-11(13-3-2-6-17-13)7-12(16)15(14)19-9-10-4-5-10/h7-8,10,13,17H,2-6,9H2,1H3.
What are the key properties of 2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine?
2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine has a molecular weight of 281.78 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine is sourced from PubChem (CID 117452488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).