1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol

C15H23F2NO — CID 60979913

IUPAC1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
SMILESCC(C)CCC(C)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C15H23F2NO/c1-10(2)4-5-11(3)18-9-15(19)13-7-6-12(16)8-14(13)17/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3
InChIKeyRBLAVHWVDWKBQP-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.41
Rot. Bonds7

About 1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol

1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol (PubChem CID 60979913) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
PubChem CID60979913
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
SMILESCC(C)CCC(C)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C15H23F2NO/c1-10(2)4-5-11(3)18-9-15(19)13-7-6-12(16)8-14(13)17/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3
InChIKeyRBLAVHWVDWKBQP-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol
CID 113486446
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
CID 60979915
1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81348797
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408093
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
CID 110897338

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol (CID 60979913) is 1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol is CC(C)CCC(C)NCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol?
The InChIKey is RBLAVHWVDWKBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-10(2)4-5-11(3)18-9-15(19)13-7-6-12(16)8-14(13)17/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol?
1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol has a molecular weight of 271.35 g/mol, XLogP of 3.41, 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-(5-methylhexan-2-ylamino)ethanol is sourced from PubChem (CID 60979913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).