N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine

C14H20F3N — CID 64504717

IUPACN-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine
SMILESCCCNC(C)CCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3N/c1-3-10-18-11(2)8-9-12-6-4-5-7-13(12)14(15,16)17/h4-7,11,18H,3,8-10H2,1-2H3
InChIKeyGPLPUMZIQJZRAW-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.03
Rot. Bonds6

About N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine

N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine (PubChem CID 64504717) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine.

Molecular Properties

Compound NameN-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine
PubChem CID64504717
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine
SMILESCCCNC(C)CCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3N/c1-3-10-18-11(2)8-9-12-6-4-5-7-13(12)14(15,16)17/h4-7,11,18H,3,8-10H2,1-2H3
InChIKeyGPLPUMZIQJZRAW-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine
CID 102708886
4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 54775947
N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine
CID 43220747
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
4-ethylsulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 115907731
4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine
CID 112652633
4-(2-propoxyphenyl)-N-propylbutan-2-amine
CID 104662724
(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 95029864
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol
CID 64514191
N-propyl-4-(1H-pyrrol-3-yl)butan-2-amine
CID 66409585
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 43098311

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine?
The IUPAC name of N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine (CID 64504717) is N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine.
What is the SMILES notation for N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine?
The canonical SMILES for N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine is CCCNC(C)CCc1ccccc1C(F)(F)F.
What is the InChIKey of N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine?
The InChIKey is GPLPUMZIQJZRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-3-10-18-11(2)8-9-12-6-4-5-7-13(12)14(15,16)17/h4-7,11,18H,3,8-10H2,1-2H3.
What are the key properties of N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine?
N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine has a molecular weight of 259.31 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine is sourced from PubChem (CID 64504717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).