(2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol

C18H20F3NO — CID 93164869

IUPAC(2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol
SMILESCC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F
InChIInChI=1S/C18H20F3NO/c1-2-17(23)12-22(10-13-3-6-15(19)7-4-13)11-14-5-8-16(20)9-18(14)21/h3-9,17,23H,2,10-12H2,1H3/t17-/m1/s1
InChIKeyFUSLSEXIXNBEDD-QGZVFWFLSA-N
MW323.36 g/mol
LogP3.88
Rot. Bonds7

About (2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol

(2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol (PubChem CID 93164869) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is (2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol
PubChem CID93164869
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name(2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol
SMILESCC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F
InChIInChI=1S/C18H20F3NO/c1-2-17(23)12-22(10-13-3-6-15(19)7-4-13)11-14-5-8-16(20)9-18(14)21/h3-9,17,23H,2,10-12H2,1H3/t17-/m1/s1
InChIKeyFUSLSEXIXNBEDD-QGZVFWFLSA-N
XLogP3.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007941
(2R)-1-[benzyl-[(2,4-difluorophenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93164801
[(2S)-3-[benzyl-[(2,4-difluorophenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93164825
1-[(4-fluorophenyl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]butan-2-ol
CID 24713180
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
(2R)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93164162
1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007666
(2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 93162660
1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 46007568
(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93162626
N-[(2R)-butan-2-yl]-2-[[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156801
(2S)-1-[(2,4-difluorophenyl)methyl-(2-methylpropyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 93162622

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol?
The IUPAC name of (2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol (CID 93164869) is (2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol.
What is the SMILES notation for (2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol?
The canonical SMILES for (2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol is CC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F.
What is the InChIKey of (2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol?
The InChIKey is FUSLSEXIXNBEDD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20F3NO/c1-2-17(23)12-22(10-13-3-6-15(19)7-4-13)11-14-5-8-16(20)9-18(14)21/h3-9,17,23H,2,10-12H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol?
(2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol has a molecular weight of 323.36 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol is sourced from PubChem (CID 93164869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).