1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol

C15H22F3NO2 — CID 78845798

IUPAC1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-11(2)21-10-13(20)9-19(3)8-12-6-4-5-7-14(12)15(16,17)18/h4-7,11,13,20H,8-10H2,1-3H3
InChIKeyBRXMFRMAVZKFKG-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.92
Rot. Bonds7

About 1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol

1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 78845798) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol
PubChem CID78845798
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-11(2)21-10-13(20)9-19(3)8-12-6-4-5-7-14(12)15(16,17)18/h4-7,11,13,20H,8-10H2,1-3H3
InChIKeyBRXMFRMAVZKFKG-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol with MolForge

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Related Compounds

(2S)-1-(dimethylamino)-3-[4-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]phenoxy]propan-2-ol
CID 42147600
(2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 30982171
1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898998
2-[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78827764
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 78821261
(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol
CID 111118115
1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol
CID 53355364
4-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butan-1-ol
CID 110931579
1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
CID 81491313
(2S)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-propan-2-yloxypropan-2-ol
CID 93164988

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol (CID 78845798) is 1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is BRXMFRMAVZKFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-11(2)21-10-13(20)9-19(3)8-12-6-4-5-7-14(12)15(16,17)18/h4-7,11,13,20H,8-10H2,1-3H3.
What are the key properties of 1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol?
1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 305.34 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 78845798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).