5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride

C12H18ClNO — CID 115036461

IUPAC5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride
SMILESCc1ccc(C2(C)CC(O)CN2)cc1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-9-3-5-10(6-4-9)12(2)7-11(14)8-13-12;/h3-6,11,13-14H,7-8H2,1-2H3;1H
InChIKeyLYVZKFHMSGUNBJ-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.99
Rot. Bonds1

About 5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride

5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 115036461) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride
PubChem CID115036461
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride
SMILESCc1ccc(C2(C)CC(O)CN2)cc1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-9-3-5-10(6-4-9)12(2)7-11(14)8-13-12;/h3-6,11,13-14H,7-8H2,1-2H3;1H
InChIKeyLYVZKFHMSGUNBJ-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-fluorophenyl)-5-methylpyrrolidin-3-ol;hydrochloride
CID 115038617
5-(4-hydroxyphenyl)-5-methylpyrrolidin-3-ol
CID 115019379
2-(4-chlorophenyl)-2-methylpiperidin-4-ol
CID 83537285
2,2,6,6-tetramethylpiperidin-4-ol;1,4-xylene
CID 159783598
4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115037542
3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol
CID 142357927
3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane
CID 143365139
2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol
CID 81416088
2,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine
CID 117229124
(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 98041254
cis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride
CID 11217911
(5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 90840976

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride (CID 115036461) is 5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride is Cc1ccc(C2(C)CC(O)CN2)cc1.Cl.
What is the InChIKey of 5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is LYVZKFHMSGUNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-9-3-5-10(6-4-9)12(2)7-11(14)8-13-12;/h3-6,11,13-14H,7-8H2,1-2H3;1H.
What are the key properties of 5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride?
5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 115036461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).