2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide

C11H16BrNO — CID 154577359

IUPAC2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide
SMILESBr.Cc1cc(N2CCCC2)ccc1O
InChIInChI=1S/C11H15NO.BrH/c1-9-8-10(4-5-11(9)13)12-6-2-3-7-12;/h4-5,8,13H,2-3,6-7H2,1H3;1H
InChIKeyWBKYPWOZUMAHDZ-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.88
Rot. Bonds1

About 2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide

2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide (PubChem CID 154577359) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide.

Molecular Properties

Compound Name2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide
PubChem CID154577359
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide
SMILESBr.Cc1cc(N2CCCC2)ccc1O
InChIInChI=1S/C11H15NO.BrH/c1-9-8-10(4-5-11(9)13)12-6-2-3-7-12;/h4-5,8,13H,2-3,6-7H2,1H3;1H
InChIKeyWBKYPWOZUMAHDZ-UHFFFAOYSA-N
XLogP2.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylpiperazin-1-yl)-2-methylphenol
CID 164764153
2,4-di(piperidin-1-yl)phenol
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2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
[4-(azepan-1-yl)-2-methylphenyl]methanol
CID 62136548
1-(4-ethynyl-3-methylphenyl)piperidine
CID 169489218
2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 958834
2,4-dimethylphenol;1-methylpyrrolidine
CID 171834752
4-(azocan-1-yl)-2-methylbenzonitrile
CID 79019375
2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol
CID 117341092
(2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol
CID 66514395
2-nitro-4-pyrrolidin-1-ylphenol
CID 57325180
5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603067

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide?
The IUPAC name of 2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide (CID 154577359) is 2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide.
What is the SMILES notation for 2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide?
The canonical SMILES for 2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide is Br.Cc1cc(N2CCCC2)ccc1O.
What is the InChIKey of 2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide?
The InChIKey is WBKYPWOZUMAHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.BrH/c1-9-8-10(4-5-11(9)13)12-6-2-3-7-12;/h4-5,8,13H,2-3,6-7H2,1H3;1H.
What are the key properties of 2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide?
2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide has a molecular weight of 258.16 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide is sourced from PubChem (CID 154577359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).