[4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol

C21H25NO — CID 150173425

IUPAC[4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CN2CCCC2c2ccccc2C2CC2)cc1
InChIInChI=1S/C21H25NO/c23-15-17-9-7-16(8-10-17)14-22-13-3-6-21(22)20-5-2-1-4-19(20)18-11-12-18/h1-2,4-5,7-10,18,21,23H,3,6,11-15H2
InChIKeyFJXJWPHELSHYFN-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.39
Rot. Bonds5

About [4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol

[4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol (PubChem CID 150173425) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is [4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
PubChem CID150173425
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name[4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CN2CCCC2c2ccccc2C2CC2)cc1
InChIInChI=1S/C21H25NO/c23-15-17-9-7-16(8-10-17)14-22-13-3-6-21(22)20-5-2-1-4-19(20)18-11-12-18/h1-2,4-5,7-10,18,21,23H,3,6,11-15H2
InChIKeyFJXJWPHELSHYFN-UHFFFAOYSA-N
XLogP4.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110008065
[4-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methanol
CID 112631290
2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 110009559
(8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol
CID 146498040
4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
CID 51476383
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
CID 82974669
(8R)-9-benzyl-5-chloro-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
CID 146199988
(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine
CID 124500714
(2R)-1-(4-bromophenyl)-2-(2-cyclopropylphenyl)pyrrolidine
CID 150696992
3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine
CID 102542292
2-[4-[[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]phenyl]benzoic acid
CID 110097148

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol (CID 150173425) is [4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol is OCc1ccc(CN2CCCC2c2ccccc2C2CC2)cc1.
What is the InChIKey of [4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol?
The InChIKey is FJXJWPHELSHYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c23-15-17-9-7-16(8-10-17)14-22-13-3-6-21(22)20-5-2-1-4-19(20)18-11-12-18/h1-2,4-5,7-10,18,21,23H,3,6,11-15H2.
What are the key properties of [4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol?
[4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol has a molecular weight of 307.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 150173425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).