2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol

C17H19NO — CID 13201564

IUPAC2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol
SMILESOc1ccccc1Cc1ccccc1N1CCCC1
InChIInChI=1S/C17H19NO/c19-17-10-4-2-8-15(17)13-14-7-1-3-9-16(14)18-11-5-6-12-18/h1-4,7-10,19H,5-6,11-13H2
InChIKeyFIJNOBWBWYFGAA-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.58
Rot. Bonds3

About 2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol

2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol (PubChem CID 13201564) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol.

Molecular Properties

Compound Name2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol
PubChem CID13201564
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol
SMILESOc1ccccc1Cc1ccccc1N1CCCC1
InChIInChI=1S/C17H19NO/c19-17-10-4-2-8-15(17)13-14-7-1-3-9-16(14)18-11-5-6-12-18/h1-4,7-10,19H,5-6,11-13H2
InChIKeyFIJNOBWBWYFGAA-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine
CID 129255508
N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 61402192
2-(2-piperidin-1-ylphenyl)acetohydrazide
CID 10847264
1,3-dimethyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea
CID 8561901
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
azane;1-(2-butylphenyl)piperidine
CID 70222464
1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621560
3-(2-piperidin-1-ylphenyl)propanenitrile;hydrochloride
CID 67111375
1-(2-pyrrolidin-1-ylphenyl)butan-2-amine
CID 63787070
2-[2-(2-pyrrolidin-1-ylphenyl)ethyl]pyridine
CID 168512294

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol?
The IUPAC name of 2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol (CID 13201564) is 2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol.
What is the SMILES notation for 2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol?
The canonical SMILES for 2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol is Oc1ccccc1Cc1ccccc1N1CCCC1.
What is the InChIKey of 2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol?
The InChIKey is FIJNOBWBWYFGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-17-10-4-2-8-15(17)13-14-7-1-3-9-16(14)18-11-5-6-12-18/h1-4,7-10,19H,5-6,11-13H2.
What are the key properties of 2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol?
2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol has a molecular weight of 253.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol is sourced from PubChem (CID 13201564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).