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

C14H20F3N — CID 62600569

IUPACN-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
SMILESCCNC(Cc1cccc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C14H20F3N/c1-4-18-13(10(2)3)9-11-6-5-7-12(8-11)14(15,16)17/h5-8,10,13,18H,4,9H2,1-3H3
InChIKeyDKNBFUIINKOHSP-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.88
Rot. Bonds5

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

N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine (PubChem CID 62600569) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
PubChem CID62600569
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
SMILESCCNC(Cc1cccc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C14H20F3N/c1-4-18-13(10(2)3)9-11-6-5-7-12(8-11)14(15,16)17/h5-8,10,13,18H,4,9H2,1-3H3
InChIKeyDKNBFUIINKOHSP-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-propan-2-ylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65131790
[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105293250
ethane;N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydroxysulfanylethane
CID 143236210
1-iodo-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 114009985
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine
CID 79178623
3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 116720086
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
N-ethyl-3-methyl-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81019957
N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83139698

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine (CID 62600569) is N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine is CCNC(Cc1cccc(C(F)(F)F)c1)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine?
The InChIKey is DKNBFUIINKOHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-4-18-13(10(2)3)9-11-6-5-7-12(8-11)14(15,16)17/h5-8,10,13,18H,4,9H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine?
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine has a molecular weight of 259.31 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine is sourced from PubChem (CID 62600569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).