1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol

C24H24F3NO2 — CID 46007941

IUPAC1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F
InChIInChI=1S/C24H24F3NO2/c1-17-4-2-3-5-24(17)30-16-22(29)15-28(13-18-6-9-20(25)10-7-18)14-19-8-11-21(26)12-23(19)27/h2-12,22,29H,13-16H2,1H3
InChIKeyACIHCTHQKSUFBC-UHFFFAOYSA-N
MW415.46 g/mol
LogP4.85
Rot. Bonds9

About 1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol

1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 46007941) has the molecular formula C24H24F3NO2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID46007941
Molecular FormulaC24H24F3NO2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F
InChIInChI=1S/C24H24F3NO2/c1-17-4-2-3-5-24(17)30-16-22(29)15-28(13-18-6-9-20(25)10-7-18)14-19-8-11-21(26)12-23(19)27/h2-12,22,29H,13-16H2,1H3
InChIKeyACIHCTHQKSUFBC-UHFFFAOYSA-N
XLogP4.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007957
(2S)-1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164915
(2R)-1-[benzyl-[(2,4-difluorophenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93164801
(2R)-1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]butan-2-ol
CID 93164869
1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007797
(2S)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 129426977
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727
(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93164105
1-[(2,4-difluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46014219
1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 24717275
[(2S)-3-[benzyl-[(2,4-difluorophenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93164825
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (CID 46007941) is 1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is ACIHCTHQKSUFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO2/c1-17-4-2-3-5-24(17)30-16-22(29)15-28(13-18-6-9-20(25)10-7-18)14-19-8-11-21(26)12-23(19)27/h2-12,22,29H,13-16H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 415.46 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 46007941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).