2-(pyrrolidin-3-ylmethyl)phenol

C11H15NO — CID 82599560

IUPAC2-(pyrrolidin-3-ylmethyl)phenol
SMILESOc1ccccc1CC1CCNC1
InChIInChI=1S/C11H15NO/c13-11-4-2-1-3-10(11)7-9-5-6-12-8-9/h1-4,9,12-13H,5-8H2
InChIKeyBTMXJKLKXQBCGT-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.54
Rot. Bonds2

About 2-(pyrrolidin-3-ylmethyl)phenol

2-(pyrrolidin-3-ylmethyl)phenol (PubChem CID 82599560) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethyl)phenol
PubChem CID82599560
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(pyrrolidin-3-ylmethyl)phenol
SMILESOc1ccccc1CC1CCNC1
InChIInChI=1S/C11H15NO/c13-11-4-2-1-3-10(11)7-9-5-6-12-8-9/h1-4,9,12-13H,5-8H2
InChIKeyBTMXJKLKXQBCGT-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-ylmethyl)phenol;hydrochloride
CID 170913706
2-(cyclopropylmethyl)phenol
CID 23014132
2-(cyclobutylmethyl)phenol
CID 115012772
2-(pyrrolidin-3-ylmethyl)benzonitrile;hydrochloride
CID 45074463
2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol
CID 84781540
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586
2-(1,4,7,10,13-pentazacyclopentadec-2-ylmethyl)phenol
CID 21338454
5-bromo-3-(pyrrolidin-3-ylmethyl)benzene-1,2-diol
CID 84809503
7-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84775916
3-(2-naphthalen-1-ylethyl)pyrrolidine
CID 116925512
[2-(piperidin-4-ylmethyl)phenyl]methanamine
CID 105456757

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethyl)phenol?
The IUPAC name of 2-(pyrrolidin-3-ylmethyl)phenol (CID 82599560) is 2-(pyrrolidin-3-ylmethyl)phenol.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethyl)phenol?
The canonical SMILES for 2-(pyrrolidin-3-ylmethyl)phenol is Oc1ccccc1CC1CCNC1.
What is the InChIKey of 2-(pyrrolidin-3-ylmethyl)phenol?
The InChIKey is BTMXJKLKXQBCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-11-4-2-1-3-10(11)7-9-5-6-12-8-9/h1-4,9,12-13H,5-8H2.
What are the key properties of 2-(pyrrolidin-3-ylmethyl)phenol?
2-(pyrrolidin-3-ylmethyl)phenol has a molecular weight of 177.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethyl)phenol is sourced from PubChem (CID 82599560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).