3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol

C15H21F4NO — CID 103851684

IUPAC3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F4NO/c1-3-11(4-2)14(21)9-20-8-10-5-6-13(16)12(7-10)15(17,18)19/h5-7,11,14,20-21H,3-4,8-9H2,1-2H3
InChIKeyHNRHRLZLTKEQMR-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.73
Rot. Bonds7

About 3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol

3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol (PubChem CID 103851684) has the molecular formula C15H21F4NO and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
PubChem CID103851684
Molecular FormulaC15H21F4NO
Molecular Weight307.33 g/mol
Exact Mass307.16
IUPAC Name3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F4NO/c1-3-11(4-2)14(21)9-20-8-10-5-6-13(16)12(7-10)15(17,18)19/h5-7,11,14,20-21H,3-4,8-9H2,1-2H3
InChIKeyHNRHRLZLTKEQMR-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 103851384
1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103773684
(2R,3S)-3-amino-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-4-phenylbutan-2-ol
CID 69361428
3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171272
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,2-dimethylbutan-1-amine
CID 103460427
1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103845041
(1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol
CID 97244163
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-methylbut-2-en-1-amine
CID 103527880
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 104588155
1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285464
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991711

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol (CID 103851684) is 3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol is CCC(CC)C(O)CNCc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol?
The InChIKey is HNRHRLZLTKEQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4NO/c1-3-11(4-2)14(21)9-20-8-10-5-6-13(16)12(7-10)15(17,18)19/h5-7,11,14,20-21H,3-4,8-9H2,1-2H3.
What are the key properties of 3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol?
3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol has a molecular weight of 307.33 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol is sourced from PubChem (CID 103851684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).