1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol

C15H23F2NO — CID 66001676

IUPAC1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
SMILESCC(C)CNCCC(C)(O)Cc1ccc(F)cc1F
InChIInChI=1S/C15H23F2NO/c1-11(2)10-18-7-6-15(3,19)9-12-4-5-13(16)8-14(12)17/h4-5,8,11,18-19H,6-7,9-10H2,1-3H3
InChIKeySDWKTGIELPXRRB-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.89
Rot. Bonds7

About 1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol

1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol (PubChem CID 66001676) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
PubChem CID66001676
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
SMILESCC(C)CNCCC(C)(O)Cc1ccc(F)cc1F
InChIInChI=1S/C15H23F2NO/c1-11(2)10-18-7-6-15(3,19)9-12-4-5-13(16)8-14(12)17/h4-5,8,11,18-19H,6-7,9-10H2,1-3H3
InChIKeySDWKTGIELPXRRB-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66000874
N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405469
3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830832
4-(2-bromo-5-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81035051
1-(3-bromo-2,6-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 106273662
4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034537
3-(5-fluoro-2-methylphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81035050
2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 66002862
1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol
CID 114349788
1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol
CID 114280035
3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol
CID 66003057
1-(5-bromothiophen-2-yl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66002474

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol (CID 66001676) is 1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol is CC(C)CNCCC(C)(O)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol?
The InChIKey is SDWKTGIELPXRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-11(2)10-18-7-6-15(3,19)9-12-4-5-13(16)8-14(12)17/h4-5,8,11,18-19H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol?
1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol has a molecular weight of 271.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol is sourced from PubChem (CID 66001676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).