N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine

C14H20F3N — CID 60996965

IUPACN-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
SMILESCCCNC(C)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-3-9-18-11(2)7-8-12-5-4-6-13(10-12)14(15,16)17/h4-6,10-11,18H,3,7-9H2,1-2H3
InChIKeyMJAPYPIRPXQNGJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.03
Rot. Bonds6

About N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine

N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine (PubChem CID 60996965) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine.

Molecular Properties

Compound NameN-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
PubChem CID60996965
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
SMILESCCCNC(C)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-3-9-18-11(2)7-8-12-5-4-6-13(10-12)14(15,16)17/h4-6,10-11,18H,3,7-9H2,1-2H3
InChIKeyMJAPYPIRPXQNGJ-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

1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
(2S)-2-[4-[3-(trifluoromethyl)phenyl]butan-2-ylamino]hexanoic acid
CID 122044784
2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 64665232
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
(2S)-4-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 30982638
N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 64504717
1-(4-chloro-3-methylbutyl)-3-(trifluoromethyl)benzene
CID 64665255
4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 63890032
3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 115831156
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
N-ethyl-3-methyl-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81019957
1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 79093607

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine?
The IUPAC name of N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine (CID 60996965) is N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine.
What is the SMILES notation for N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine?
The canonical SMILES for N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine is CCCNC(C)CCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine?
The InChIKey is MJAPYPIRPXQNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-3-9-18-11(2)7-8-12-5-4-6-13(10-12)14(15,16)17/h4-6,10-11,18H,3,7-9H2,1-2H3.
What are the key properties of N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine?
N-propyl-4-[3-(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-[3-(trifluoromethyl)phenyl]butan-2-amine is sourced from PubChem (CID 60996965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).