1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol

C13H20FNO — CID 114349788

IUPAC1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol
SMILESCNCCC(C)(O)Cc1ccc(F)cc1C
InChIInChI=1S/C13H20FNO/c1-10-8-12(14)5-4-11(10)9-13(2,16)6-7-15-3/h4-5,8,15-16H,6-7,9H2,1-3H3
InChIKeyJZULBDLAWDNYSF-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.04
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol

1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol (PubChem CID 114349788) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol
PubChem CID114349788
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol
SMILESCNCCC(C)(O)Cc1ccc(F)cc1C
InChIInChI=1S/C13H20FNO/c1-10-8-12(14)5-4-11(10)9-13(2,16)6-7-15-3/h4-5,8,15-16H,6-7,9H2,1-3H3
InChIKeyJZULBDLAWDNYSF-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 114346991
4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine
CID 105376290
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol
CID 82934575
1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001676
1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol
CID 66039362
1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol
CID 114347033
4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865108
3-amino-2-[(4-fluoro-2-methylphenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899883
1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105375921
3-(4-fluoro-2-methylphenyl)-2,2-dimethylpropanenitrile
CID 114349707

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol (CID 114349788) is 1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol is CNCCC(C)(O)Cc1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol?
The InChIKey is JZULBDLAWDNYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10-8-12(14)5-4-11(10)9-13(2,16)6-7-15-3/h4-5,8,15-16H,6-7,9H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol?
1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol has a molecular weight of 225.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol is sourced from PubChem (CID 114349788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).