2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol

C13H18F3NO2 — CID 62762382

IUPAC2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
SMILESCC(C)CC(N)C(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-8(2)7-10(17)12(18)9-5-3-4-6-11(9)19-13(14,15)16/h3-6,8,10,12,18H,7,17H2,1-2H3
InChIKeyHVAQLFARHCMMJL-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.99
Rot. Bonds5

About 2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol

2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol (PubChem CID 62762382) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol.

Molecular Properties

Compound Name2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
PubChem CID62762382
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
SMILESCC(C)CC(N)C(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-8(2)7-10(17)12(18)9-5-3-4-6-11(9)19-13(14,15)16/h3-6,8,10,12,18H,7,17H2,1-2H3
InChIKeyHVAQLFARHCMMJL-UHFFFAOYSA-N
XLogP2.99
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-ethoxyphenyl)-4-methylpentan-1-ol
CID 62763452
(1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171161762
ethyl 2-fluoro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]propanoate
CID 79366819
methyl 2-[hydroxy-[2-(trifluoromethoxy)phenyl]methyl]-3-methylbutanoate
CID 62393861
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
4-hydroxy-2,3-dimethyl-4-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 79413515
1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene
CID 67813246
3-[2-(trifluoromethoxy)phenyl]butanamide
CID 50995485
3,4-dihydroxy-4-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 171878259
(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
CID 130359004
2-[hydroxy-[2-(trifluoromethoxy)phenyl]methyl]pentanoic acid
CID 83042460
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol?
The IUPAC name of 2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol (CID 62762382) is 2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol.
What is the SMILES notation for 2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol?
The canonical SMILES for 2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol is CC(C)CC(N)C(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol?
The InChIKey is HVAQLFARHCMMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-8(2)7-10(17)12(18)9-5-3-4-6-11(9)19-13(14,15)16/h3-6,8,10,12,18H,7,17H2,1-2H3.
What are the key properties of 2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol?
2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol has a molecular weight of 277.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol is sourced from PubChem (CID 62762382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).