3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride

C11H16ClNO — CID 161066750

IUPAC3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride
SMILESCC1CC(c2cccc(O)c2)CN1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-8-5-10(7-12-8)9-3-2-4-11(13)6-9;/h2-4,6,8,10,12-13H,5,7H2,1H3;1H
InChIKeyUECVUHXIGMXBSE-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.28
Rot. Bonds1

About 3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride

3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride (PubChem CID 161066750) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride.

Molecular Properties

Compound Name3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride
PubChem CID161066750
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride
SMILESCC1CC(c2cccc(O)c2)CN1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-8-5-10(7-12-8)9-3-2-4-11(13)6-9;/h2-4,6,8,10,12-13H,5,7H2,1H3;1H
InChIKeyUECVUHXIGMXBSE-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol
CID 82616502
4-(3-ethylphenyl)-2-methylpyrrolidine
CID 126676814
ethane;2-methyl-4-phenylpyrrolidine
CID 176952755
tert-butyl 3-[(3R,5R)-5-methylpyrrolidin-3-yl]benzoate
CID 125457040
N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide
CID 125458149
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
3-[3-(methylamino)cyclobutyl]phenol
CID 105437059
3-pyrrolidin-3-ylphenol
CID 12937992
4-(3-chloro-4-methylphenyl)-2-methylpyrrolidine
CID 106818817
(2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine
CID 95365874
3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide
CID 67026991
3-cyclohexylphenol
CID 16036

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride?
The IUPAC name of 3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride (CID 161066750) is 3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride.
What is the SMILES notation for 3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride?
The canonical SMILES for 3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride is CC1CC(c2cccc(O)c2)CN1.Cl.
What is the InChIKey of 3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride?
The InChIKey is UECVUHXIGMXBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-8-5-10(7-12-8)9-3-2-4-11(13)6-9;/h2-4,6,8,10,12-13H,5,7H2,1H3;1H.
What are the key properties of 3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride?
3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride is sourced from PubChem (CID 161066750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).