1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol

C14H21F2NO2 — CID 107152523

IUPAC1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2NO2/c1-9(2)5-11(18)7-17-8-14(19)10-3-4-12(15)13(16)6-10/h3-4,6,9,11,14,17-19H,5,7-8H2,1-2H3
InChIKeyCFBHKPKEVLJBRY-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.99
Rot. Bonds7

About 1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol

1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol (PubChem CID 107152523) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
PubChem CID107152523
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2NO2/c1-9(2)5-11(18)7-17-8-14(19)10-3-4-12(15)13(16)6-10/h3-4,6,9,11,14,17-19H,5,7-8H2,1-2H3
InChIKeyCFBHKPKEVLJBRY-UHFFFAOYSA-N
XLogP1.99
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-4-methylpentan-2-ol
CID 107152724
1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115589638
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152410
1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol
CID 62991182
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938960
(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)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol
CID 63306680
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
3-[[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclobutan-1-ol
CID 66006149

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol (CID 107152523) is 1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol is CC(C)CC(O)CNCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol?
The InChIKey is CFBHKPKEVLJBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-9(2)5-11(18)7-17-8-14(19)10-3-4-12(15)13(16)6-10/h3-4,6,9,11,14,17-19H,5,7-8H2,1-2H3.
What are the key properties of 1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol?
1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol has a molecular weight of 273.32 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107152523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).