2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol

C16H25F2NO — CID 82217067

IUPAC2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol
SMILESCC(C)CN(CC(C)C)CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H25F2NO/c1-11(2)8-19(9-12(3)4)10-16(20)13-5-6-14(17)15(18)7-13/h5-7,11-12,16,20H,8-10H2,1-4H3
InChIKeyPXEMLGWBIMGGMS-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.61
Rot. Bonds7

About 2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol

2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol (PubChem CID 82217067) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol
PubChem CID82217067
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol
SMILESCC(C)CN(CC(C)C)CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H25F2NO/c1-11(2)8-19(9-12(3)4)10-16(20)13-5-6-14(17)15(18)7-13/h5-7,11-12,16,20H,8-10H2,1-4H3
InChIKeyPXEMLGWBIMGGMS-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217071
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
1-(3,4-difluorophenyl)ethane-1,2-diol
CID 71469386
2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60969080
1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol
CID 110897675
2-[bis(2-methylpropyl)amino]-1-pyridin-4-ylethanol
CID 82216500
2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 110898003
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 112510192
1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152523
4-amino-1-(3,4-difluorophenyl)butan-1-ol
CID 82048635
4-(1-bromopropan-2-yl)-1,2-difluorobenzene
CID 66469255

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol (CID 82217067) is 2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol is CC(C)CN(CC(C)C)CC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol?
The InChIKey is PXEMLGWBIMGGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-11(2)8-19(9-12(3)4)10-16(20)13-5-6-14(17)15(18)7-13/h5-7,11-12,16,20H,8-10H2,1-4H3.
What are the key properties of 2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol?
2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol has a molecular weight of 285.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 82217067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).