N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine

C14H20F3N — CID 55083297

IUPACN-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCCNCC(CC)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-3-11(10-18-4-2)8-12-6-5-7-13(9-12)14(15,16)17/h5-7,9,11,18H,3-4,8,10H2,1-2H3
InChIKeySWFKQIQBWPAYEK-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.88
Rot. Bonds6

About N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine

N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine (PubChem CID 55083297) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
PubChem CID55083297
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCCNCC(CC)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-3-11(10-18-4-2)8-12-6-5-7-13(9-12)14(15,16)17/h5-7,9,11,18H,3-4,8,10H2,1-2H3
InChIKeySWFKQIQBWPAYEK-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83139698
N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62530963
N-ethyl-3-methyl-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81019957
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene
CID 58227067
2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81011675
N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine
CID 62528327
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine (CID 55083297) is N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine is CCNCC(CC)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The InChIKey is SWFKQIQBWPAYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-3-11(10-18-4-2)8-12-6-5-7-13(9-12)14(15,16)17/h5-7,9,11,18H,3-4,8,10H2,1-2H3.
What are the key properties of N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine?
N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 55083297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).