2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine

C15H21NO — CID 117116766

IUPAC2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine
SMILESCOCC1(c2ccc(C3CCCN3)cc2)CC1
InChIInChI=1S/C15H21NO/c1-17-11-15(8-9-15)13-6-4-12(5-7-13)14-3-2-10-16-14/h4-7,14,16H,2-3,8-11H2,1H3
InChIKeyXECKYLCDXMFFHI-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.79
Rot. Bonds4

About 2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine

2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine (PubChem CID 117116766) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine
PubChem CID117116766
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine
SMILESCOCC1(c2ccc(C3CCCN3)cc2)CC1
InChIInChI=1S/C15H21NO/c1-17-11-15(8-9-15)13-6-4-12(5-7-13)14-3-2-10-16-14/h4-7,14,16H,2-3,8-11H2,1H3
InChIKeyXECKYLCDXMFFHI-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
CID 117116336
4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
CID 117116547
1-(4-pyrrolidin-2-ylphenyl)cyclopropan-1-ol
CID 117116735
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
2-[4-(dimethoxymethyl)phenyl]pyrrolidine
CID 84788037
2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine
CID 117116726
CID 123885865
CID 123885865
3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
CID 117116450
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
methyl 2-(4-pyrrolidin-2-ylphenyl)acetate
CID 70987357
methyl 2-[4-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66518883

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine?
The IUPAC name of 2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine (CID 117116766) is 2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine.
What is the SMILES notation for 2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine?
The canonical SMILES for 2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine is COCC1(c2ccc(C3CCCN3)cc2)CC1.
What is the InChIKey of 2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine?
The InChIKey is XECKYLCDXMFFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-11-15(8-9-15)13-6-4-12(5-7-13)14-3-2-10-16-14/h4-7,14,16H,2-3,8-11H2,1H3.
What are the key properties of 2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine?
2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine is sourced from PubChem (CID 117116766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).