2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol

C15H22F3NO — CID 62013930

IUPAC2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol
SMILESCCC(CC)N(CCO)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-3-14(4-2)19(9-10-20)11-12-5-7-13(8-6-12)15(16,17)18/h5-8,14,20H,3-4,9-11H2,1-2H3
InChIKeyIFSLEERPBQBGAT-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.69
Rot. Bonds7

About 2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol

2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol (PubChem CID 62013930) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol
PubChem CID62013930
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol
SMILESCCC(CC)N(CCO)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-3-14(4-2)19(9-10-20)11-12-5-7-13(8-6-12)15(16,17)18/h5-8,14,20H,3-4,9-11H2,1-2H3
InChIKeyIFSLEERPBQBGAT-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761738
2-[(3,4-dimethylphenyl)methyl-pentan-3-ylamino]ethanol
CID 62015496
2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol
CID 62013906
N,N,N',N'-tetrakis[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 139171038
methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60965401
N'-pentan-3-yl-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 63762112
2-fluoro-N-(2-hydroxyethyl)-N-pentan-3-yl-5-(trifluoromethyl)benzenesulfonamide
CID 75471853
2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol
CID 62128242
2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol
CID 62735874
2-bromo-N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80679836
2-[(3-nitrophenyl)methyl-pentan-3-ylamino]ethanol
CID 62014876
1-[4-(trifluoromethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
CID 100995079

Frequently Asked Questions

What is the IUPAC name of 2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol?
The IUPAC name of 2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol (CID 62013930) is 2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol?
The canonical SMILES for 2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol is CCC(CC)N(CCO)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol?
The InChIKey is IFSLEERPBQBGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-3-14(4-2)19(9-10-20)11-12-5-7-13(8-6-12)15(16,17)18/h5-8,14,20H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol?
2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol has a molecular weight of 289.34 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol is sourced from PubChem (CID 62013930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).