1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol

C16H25NO — CID 65440471

IUPAC1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol
SMILESCc1ccccc1C(O)CN1CCCC1C(C)C
InChIInChI=1S/C16H25NO/c1-12(2)15-9-6-10-17(15)11-16(18)14-8-5-4-7-13(14)3/h4-5,7-8,12,15-16,18H,6,9-11H2,1-3H3
InChIKeyGNVQRYDRDIUHKH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.15
Rot. Bonds4

About 1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol

1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol (PubChem CID 65440471) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol
PubChem CID65440471
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol
SMILESCc1ccccc1C(O)CN1CCCC1C(C)C
InChIInChI=1S/C16H25NO/c1-12(2)15-9-6-10-17(15)11-16(18)14-8-5-4-7-13(14)3/h4-5,7-8,12,15-16,18H,6,9-11H2,1-3H3
InChIKeyGNVQRYDRDIUHKH-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol
CID 111461994
1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66370370
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
CID 55159139
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454
1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol
CID 104752981
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(2-methylphenyl)propan-1-ol
CID 62624367
2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol
CID 62973662
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol
CID 83136214
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
CID 95153941
1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
2-[(2S)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-2-ol
CID 124741203

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol?
The IUPAC name of 1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol (CID 65440471) is 1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol is Cc1ccccc1C(O)CN1CCCC1C(C)C.
What is the InChIKey of 1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol?
The InChIKey is GNVQRYDRDIUHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)15-9-6-10-17(15)11-16(18)14-8-5-4-7-13(14)3/h4-5,7-8,12,15-16,18H,6,9-11H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol?
1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 65440471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).