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

C15H21NO2 — CID 117371452

IUPAC2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine
SMILESCOc1cc(C2CCCN2)ccc1OCC1CC1
InChIInChI=1S/C15H21NO2/c1-17-15-9-12(13-3-2-8-16-13)6-7-14(15)18-10-11-4-5-11/h6-7,9,11,13,16H,2-5,8,10H2,1H3
InChIKeyXYGDEWBQTWYJHF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.91
Rot. Bonds5

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

2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine (PubChem CID 117371452) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine
PubChem CID117371452
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine
SMILESCOc1cc(C2CCCN2)ccc1OCC1CC1
InChIInChI=1S/C15H21NO2/c1-17-15-9-12(13-3-2-8-16-13)6-7-14(15)18-10-11-4-5-11/h6-7,9,11,13,16H,2-5,8,10H2,1H3
InChIKeyXYGDEWBQTWYJHF-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine
CID 117495069
2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine
CID 117452488
(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 66519768
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
2-(4-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117440861
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
CID 55263976
2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile
CID 66518962
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
2-methoxy-5-piperidin-2-ylaniline
CID 117116326
2-(3-methoxy-4-methylsulfonylphenyl)pyrrolidine
CID 117391561

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine?
The IUPAC name of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine (CID 117371452) is 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine.
What is the SMILES notation for 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine?
The canonical SMILES for 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine is COc1cc(C2CCCN2)ccc1OCC1CC1.
What is the InChIKey of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine?
The InChIKey is XYGDEWBQTWYJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-15-9-12(13-3-2-8-16-13)6-7-14(15)18-10-11-4-5-11/h6-7,9,11,13,16H,2-5,8,10H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine?
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine has a molecular weight of 247.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine is sourced from PubChem (CID 117371452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).