1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol

C20H25F2NO2 — CID 46007666

IUPAC1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C20H25F2NO2/c1-15(2)25-14-20(24)13-23(11-16-3-7-18(21)8-4-16)12-17-5-9-19(22)10-6-17/h3-10,15,20,24H,11-14H2,1-2H3
InChIKeyAKUYONCGNFAUIP-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.75
Rot. Bonds9

About 1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol

1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 46007666) has the molecular formula C20H25F2NO2 and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
PubChem CID46007666
Molecular FormulaC20H25F2NO2
Molecular Weight349.42 g/mol
Exact Mass349.19
IUPAC Name1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C20H25F2NO2/c1-15(2)25-14-20(24)13-23(11-16-3-7-18(21)8-4-16)12-17-5-9-19(22)10-6-17/h3-10,15,20,24H,11-14H2,1-2H3
InChIKeyAKUYONCGNFAUIP-UHFFFAOYSA-N
XLogP3.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007561
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713119
1-[benzyl-[(2-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007720
(2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93160531
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95358395
(2R)-1-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 98629380
(2R)-1-[1,3-benzodioxol-5-ylmethyl-[(4-fluorophenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93164126
(2R)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93164162
1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 24713535
(2S)-1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93164577
[(2S)-3-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93164021
(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93162626

Frequently Asked Questions

What is the IUPAC name of 1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol (CID 46007666) is 1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1.
What is the InChIKey of 1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is AKUYONCGNFAUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NO2/c1-15(2)25-14-20(24)13-23(11-16-3-7-18(21)8-4-16)12-17-5-9-19(22)10-6-17/h3-10,15,20,24H,11-14H2,1-2H3.
What are the key properties of 1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 349.42 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 46007666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).