[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol

C12H17NO — CID 25220548

IUPAC[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1cccc([C@@H]2CNC[C@H]2CO)c1
InChIInChI=1S/C12H17NO/c1-9-3-2-4-10(5-9)12-7-13-6-11(12)8-14/h2-5,11-14H,6-8H2,1H3/t11-,12-/m0/s1
InChIKeyXXOFLUSHPQSGFW-RYUDHWBXSA-N
MW191.27 g/mol
LogP1.29
Rot. Bonds2

About [(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol

[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol (PubChem CID 25220548) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
PubChem CID25220548
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1cccc([C@@H]2CNC[C@H]2CO)c1
InChIInChI=1S/C12H17NO/c1-9-3-2-4-10(5-9)12-7-13-6-11(12)8-14/h2-5,11-14H,6-8H2,1H3/t11-,12-/m0/s1
InChIKeyXXOFLUSHPQSGFW-RYUDHWBXSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 98006633
[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 122163804
[(3R,4R)-4-(2-chloro-4-methylphenyl)pyrrolidin-3-yl]methanol
CID 129493656
6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963580
4-(3-methylphenyl)-3-(2-methylpropyl)piperidine
CID 79320999
methyl (3R,4S)-4-(3-methylphenyl)pyrrolidine-3-carboxylate
CID 53484902
[(3S,4R)-4-(4-bromophenyl)pyrrolidin-3-yl]methanol
CID 129375178
[(3S,4S)-4-(4-bromophenyl)pyrrolidin-3-yl]methanol
CID 129408301
(3S,4R)-3-(3-chlorophenyl)-4-ethylpyrrolidine
CID 125451676
4-(3-methylphenyl)-3-phenylpiperidine
CID 79312119
trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride
CID 170914369
[(3S,4R)-4-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 129009069

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol (CID 25220548) is [(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol is Cc1cccc([C@@H]2CNC[C@H]2CO)c1.
What is the InChIKey of [(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol?
The InChIKey is XXOFLUSHPQSGFW-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-3-2-4-10(5-9)12-7-13-6-11(12)8-14/h2-5,11-14H,6-8H2,1H3/t11-,12-/m0/s1.
What are the key properties of [(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol?
[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol has a molecular weight of 191.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 25220548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).