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

C15H20ClNO — CID 117418728

IUPAC2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
SMILESClc1cc(CC2CCCN2)ccc1OCC1CC1
InChIInChI=1S/C15H20ClNO/c16-14-9-12(8-13-2-1-7-17-13)5-6-15(14)18-10-11-3-4-11/h5-6,9,11,13,17H,1-4,7-8,10H2
InChIKeyPXAJIKIWUSCHJX-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.42
Rot. Bonds5

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

2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine (PubChem CID 117418728) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
PubChem CID117418728
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
SMILESClc1cc(CC2CCCN2)ccc1OCC1CC1
InChIInChI=1S/C15H20ClNO/c16-14-9-12(8-13-2-1-7-17-13)5-6-15(14)18-10-11-3-4-11/h5-6,9,11,13,17H,1-4,7-8,10H2
InChIKeyPXAJIKIWUSCHJX-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
CID 117494502
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]pyrrolidine
CID 117476757
2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117352079
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
CID 65459443
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915
3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362
4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830834
3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449060
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine (CID 117418728) is 2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine is Clc1cc(CC2CCCN2)ccc1OCC1CC1.
What is the InChIKey of 2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine?
The InChIKey is PXAJIKIWUSCHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-14-9-12(8-13-2-1-7-17-13)5-6-15(14)18-10-11-3-4-11/h5-6,9,11,13,17H,1-4,7-8,10H2.
What are the key properties of 2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine?
2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine has a molecular weight of 265.78 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 117418728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).