3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine

C15H21NO — CID 117116652

IUPAC3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine
SMILESCOCC1(c2cccc(C3CCNC3)c2)CC1
InChIInChI=1S/C15H21NO/c1-17-11-15(6-7-15)14-4-2-3-12(9-14)13-5-8-16-10-13/h2-4,9,13,16H,5-8,10-11H2,1H3
InChIKeyOFRHLNBVFLBXLZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.44
Rot. Bonds4

About 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine

3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine (PubChem CID 117116652) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine
PubChem CID117116652
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine
SMILESCOCC1(c2cccc(C3CCNC3)c2)CC1
InChIInChI=1S/C15H21NO/c1-17-11-15(6-7-15)14-4-2-3-12(9-14)13-5-8-16-10-13/h2-4,9,13,16H,5-8,10-11H2,1H3
InChIKeyOFRHLNBVFLBXLZ-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
CID 117116450
[1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine
CID 84793975
2-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
CID 117116336
4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
CID 117116547
1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 84794422
N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97188264
3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine
CID 117343023
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382
1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine
CID 117333021
3-pyrrolidin-3-ylphenol
CID 12937992

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine?
The IUPAC name of 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine (CID 117116652) is 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine.
What is the SMILES notation for 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine?
The canonical SMILES for 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine is COCC1(c2cccc(C3CCNC3)c2)CC1.
What is the InChIKey of 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine?
The InChIKey is OFRHLNBVFLBXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-11-15(6-7-15)14-4-2-3-12(9-14)13-5-8-16-10-13/h2-4,9,13,16H,5-8,10-11H2,1H3.
What are the key properties of 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine?
3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine is sourced from PubChem (CID 117116652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).