[(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol

C12H17NO — CID 130672690

IUPAC[(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol
SMILESCc1ccccc1[C@@H]1CCN[C@H]1CO
InChIInChI=1S/C12H17NO/c1-9-4-2-3-5-10(9)11-6-7-13-12(11)8-14/h2-5,11-14H,6-8H2,1H3/t11-,12-/m0/s1
InChIKeyBGSITQZINVQHOC-RYUDHWBXSA-N
MW191.27 g/mol
LogP1.43
Rot. Bonds2

About [(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol

[(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol (PubChem CID 130672690) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol
PubChem CID130672690
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol
SMILESCc1ccccc1[C@@H]1CCN[C@H]1CO
InChIInChI=1S/C12H17NO/c1-9-4-2-3-5-10(9)11-6-7-13-12(11)8-14/h2-5,11-14H,6-8H2,1H3/t11-,12-/m0/s1
InChIKeyBGSITQZINVQHOC-RYUDHWBXSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
[(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol
CID 131001241
1-[(2S,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]ethanone
CID 90396352
1-[(2S)-3-(2-methylphenyl)pyrrolidin-2-yl]ethanone
CID 66694301
(3-pyridin-3-ylpyrrolidin-2-yl)methanol
CID 126982382
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 131873349
2-ethyl-3-phenylpyrrolidine
CID 62354556
3-(2-methylphenyl)piperidin-4-ol
CID 117168026
[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
CID 130754239
4-(hydroxymethyl)-5-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115062397
3-(fluoromethyl)-4-(2-methylphenyl)piperidine
CID 23157157

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol (CID 130672690) is [(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol is Cc1ccccc1[C@@H]1CCN[C@H]1CO.
What is the InChIKey of [(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol?
The InChIKey is BGSITQZINVQHOC-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-2-3-5-10(9)11-6-7-13-12(11)8-14/h2-5,11-14H,6-8H2,1H3/t11-,12-/m0/s1.
What are the key properties of [(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol?
[(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol has a molecular weight of 191.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 130672690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).