(2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol

C15H23NO — CID 124510585

IUPAC(2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
SMILESC[C@@H](CO)Cc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H23NO/c1-13(12-17)10-14-4-6-15(7-5-14)11-16-8-2-3-9-16/h4-7,13,17H,2-3,8-12H2,1H3/t13-/m1/s1
InChIKeyYIGUMQSZUHQENZ-CYBMUJFWSA-N
MW233.35 g/mol
LogP2.45
Rot. Bonds5

About (2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol

(2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol (PubChem CID 124510585) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
PubChem CID124510585
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
SMILESC[C@@H](CO)Cc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H23NO/c1-13(12-17)10-14-4-6-15(7-5-14)11-16-8-2-3-9-16/h4-7,13,17H,2-3,8-12H2,1H3/t13-/m1/s1
InChIKeyYIGUMQSZUHQENZ-CYBMUJFWSA-N
XLogP2.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol 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

(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
1-[(4-methylphenyl)methyl]azepane
CID 3951815
1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine
CID 139561533
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
CID 139596448
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-ol
CID 83983299
2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol
CID 117339044
2-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
CID 117313419
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 105346654
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol?
The IUPAC name of (2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol (CID 124510585) is (2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol.
What is the SMILES notation for (2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol?
The canonical SMILES for (2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol is C[C@@H](CO)Cc1ccc(CN2CCCC2)cc1.
What is the InChIKey of (2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol?
The InChIKey is YIGUMQSZUHQENZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(12-17)10-14-4-6-15(7-5-14)11-16-8-2-3-9-16/h4-7,13,17H,2-3,8-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol?
(2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol is sourced from PubChem (CID 124510585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).