4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol

C14H20F3NO — CID 61240689

IUPAC4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
SMILESCC(C)CC(CO)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-10(2)7-12(9-19)18-8-11-5-3-4-6-13(11)14(15,16)17/h3-6,10,12,18-19H,7-9H2,1-2H3
InChIKeyGYTYTBWTIALMCF-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.20
Rot. Bonds6

About 4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol

4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol (PubChem CID 61240689) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
PubChem CID61240689
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
SMILESCC(C)CC(CO)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-10(2)7-12(9-19)18-8-11-5-3-4-6-13(11)14(15,16)17/h3-6,10,12,18-19H,7-9H2,1-2H3
InChIKeyGYTYTBWTIALMCF-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 51690870
2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol
CID 61247131
(2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol
CID 103922964
(2S)-2-(benzylamino)-4-methylpentan-1-ol
CID 11298719
3-[[2-(trifluoromethyl)phenyl]methylamino]pentanenitrile
CID 62646391
3-hydroxy-2-[[2-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 82364502
(1R)-1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 81348504
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60944396
3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol
CID 113352552
6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol
CID 22006356
N'-methyl-N'-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62635384
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine
CID 114472266

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol (CID 61240689) is 4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol is CC(C)CC(CO)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
The InChIKey is GYTYTBWTIALMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-10(2)7-12(9-19)18-8-11-5-3-4-6-13(11)14(15,16)17/h3-6,10,12,18-19H,7-9H2,1-2H3.
What are the key properties of 4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol has a molecular weight of 275.31 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol is sourced from PubChem (CID 61240689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).