(1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol

C15H23NO — CID 170366184

IUPAC(1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol
SMILESCN1CCC[C@H]1[C@H](O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H23NO/c1-15(2,12-8-5-4-6-9-12)14(17)13-10-7-11-16(13)3/h4-6,8-9,13-14,17H,7,10-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyZEWMAXTZXWIRSP-KBPBESRZSA-N
MW233.36 g/mol
LogP2.42
Rot. Bonds3

About (1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol

(1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol (PubChem CID 170366184) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol
PubChem CID170366184
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol
SMILESCN1CCC[C@H]1[C@H](O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H23NO/c1-15(2,12-8-5-4-6-9-12)14(17)13-10-7-11-16(13)3/h4-6,8-9,13-14,17H,7,10-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyZEWMAXTZXWIRSP-KBPBESRZSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzhydryl-1-methylpyrrolidine
CID 71178925
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
CID 67164631
2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine
CID 69304203
(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 155904197
(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 165045426
ethane;methane;tetrakis([(2S)-1-methylpyrrolidin-2-yl]methanediol);tetrakis([(2R)-1-methylpyrrolidin-2-yl]methanediol)
CID 159344358
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol
CID 79318601
(1S)-2-trimethylsilyl-1-[(2R)-1-tritylpyrrolidin-2-yl]ethanol
CID 176747566
(1S)-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-1-phenylmethanamine
CID 67869065
(1,4-dimethylpiperidin-2-yl)-phenylmethanol
CID 68502883
2-[1-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridin-3-ol;hydrochloride
CID 67585183
2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83855726

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol?
The IUPAC name of (1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol (CID 170366184) is (1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol.
What is the SMILES notation for (1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol?
The canonical SMILES for (1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol is CN1CCC[C@H]1[C@H](O)C(C)(C)c1ccccc1.
What is the InChIKey of (1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol?
The InChIKey is ZEWMAXTZXWIRSP-KBPBESRZSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,12-8-5-4-6-9-12)14(17)13-10-7-11-16(13)3/h4-6,8-9,13-14,17H,7,10-11H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol?
(1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol is sourced from PubChem (CID 170366184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).