2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol

C13H20FNO — CID 62120119

IUPAC2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol
SMILESCc1cc(C(CO)NCC(C)C)ccc1F
InChIInChI=1S/C13H20FNO/c1-9(2)7-15-13(8-16)11-4-5-12(14)10(3)6-11/h4-6,9,13,15-16H,7-8H2,1-3H3
InChIKeyGXOMOKXAZVAEQD-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.41
Rot. Bonds5

About 2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol

2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol (PubChem CID 62120119) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol
PubChem CID62120119
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol
SMILESCc1cc(C(CO)NCC(C)C)ccc1F
InChIInChI=1S/C13H20FNO/c1-9(2)7-15-13(8-16)11-4-5-12(14)10(3)6-11/h4-6,9,13,15-16H,7-8H2,1-3H3
InChIKeyGXOMOKXAZVAEQD-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61055745
2-(ethylamino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 62119943
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 81441071
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033
2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol
CID 113328529
2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 61055543
2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol
CID 62122602
2-(3-fluoro-5-methylanilino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 79050588
2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol
CID 105379246
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide
CID 82129851
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol (CID 62120119) is 2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol is Cc1cc(C(CO)NCC(C)C)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol?
The InChIKey is GXOMOKXAZVAEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9(2)7-15-13(8-16)11-4-5-12(14)10(3)6-11/h4-6,9,13,15-16H,7-8H2,1-3H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol?
2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol has a molecular weight of 225.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 62120119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).