2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine

C14H20F3N — CID 62724100

IUPAC2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCCC(CC)(CN)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3N/c1-3-13(4-2,10-18)9-11-5-7-12(8-6-11)14(15,16)17/h5-8H,3-4,9-10,18H2,1-2H3
InChIKeyLWQSTGHCWGSDBR-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.01
Rot. Bonds5

About 2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine

2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine (PubChem CID 62724100) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
PubChem CID62724100
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCCC(CC)(CN)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3N/c1-3-13(4-2,10-18)9-11-5-7-12(8-6-11)14(15,16)17/h5-8H,3-4,9-10,18H2,1-2H3
InChIKeyLWQSTGHCWGSDBR-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine
CID 63522510
2-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 62723896
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62740976
2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83160551
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanoic acid
CID 55106534
3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine
CID 116991904
1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 139245832
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 173297949
2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
CID 106508285
1-amino-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62774941
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The IUPAC name of 2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine (CID 62724100) is 2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine is CCC(CC)(CN)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The InChIKey is LWQSTGHCWGSDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-3-13(4-2,10-18)9-11-5-7-12(8-6-11)14(15,16)17/h5-8H,3-4,9-10,18H2,1-2H3.
What are the key properties of 2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 62724100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).