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

C14H20F3N — CID 81015140

IUPACN-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCNCC(C)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-4-18-9-10(2)11(3)12-6-5-7-13(8-12)14(15,16)17/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeyVFQVIOMNDOPUGT-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.05
Rot. Bonds5

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

N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 81015140) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID81015140
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCNCC(C)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-4-18-9-10(2)11(3)12-6-5-7-13(8-12)14(15,16)17/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeyVFQVIOMNDOPUGT-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine
CID 116546427
N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine
CID 83050807
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
CID 79298392
N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55083297
N-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81019920
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64675011
N-ethyl-2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64633057
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83139698
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine (CID 81015140) is N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine is CCNCC(C)C(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is VFQVIOMNDOPUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-4-18-9-10(2)11(3)12-6-5-7-13(8-12)14(15,16)17/h5-8,10-11,18H,4,9H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine?
N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 81015140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).