1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol

C14H19NO — CID 117118207

IUPAC1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol
SMILESOC1(c2cccc(CC3CCCN3)c2)CC1
InChIInChI=1S/C14H19NO/c16-14(6-7-14)12-4-1-3-11(9-12)10-13-5-2-8-15-13/h1,3-4,9,13,15-16H,2,5-8,10H2
InChIKeyIKYBJRLFOOWFDF-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.96
Rot. Bonds3

About 1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol

1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol (PubChem CID 117118207) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol
PubChem CID117118207
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol
SMILESOC1(c2cccc(CC3CCCN3)c2)CC1
InChIInChI=1S/C14H19NO/c16-14(6-7-14)12-4-1-3-11(9-12)10-13-5-2-8-15-13/h1,3-4,9,13,15-16H,2,5-8,10H2
InChIKeyIKYBJRLFOOWFDF-UHFFFAOYSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol 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-chlorophenyl)methyl]pyrrolidine
CID 7022802
2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine
CID 117359786
1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol
CID 117118217
1-[3-(piperidin-2-ylmethyl)phenyl]ethanol
CID 117118064
2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 117351207
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
2-[[3-(3,3-dimethylcyclohexyl)phenyl]methyl]pyrrolidine
CID 117431700
2-[(3-methylsulfanylphenyl)methyl]piperidine
CID 117317206
2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233
2-[[3-(thian-4-yloxy)phenyl]methyl]pyrrolidine
CID 117444975
N-[3-(azepan-2-ylmethyl)phenyl]acetamide
CID 70141371

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol (CID 117118207) is 1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol is OC1(c2cccc(CC3CCCN3)c2)CC1.
What is the InChIKey of 1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol?
The InChIKey is IKYBJRLFOOWFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-14(6-7-14)12-4-1-3-11(9-12)10-13-5-2-8-15-13/h1,3-4,9,13,15-16H,2,5-8,10H2.
What are the key properties of 1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol?
1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117118207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).