1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine

C16H16F3N — CID 61032956

IUPAC1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3N/c1-2-15(20)13-5-3-11(4-6-13)12-7-9-14(10-8-12)16(17,18)19/h3-10,15H,2,20H2,1H3
InChIKeyJGKCKOXGZICLQJ-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.78
Rot. Bonds3

About 1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine

1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine (PubChem CID 61032956) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
PubChem CID61032956
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3N/c1-2-15(20)13-5-3-11(4-6-13)12-7-9-14(10-8-12)16(17,18)19/h3-10,15H,2,20H2,1H3
InChIKeyJGKCKOXGZICLQJ-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
CID 171231162
1-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]propan-1-amine
CID 66258612
3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170875067
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
(3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride
CID 171231171
2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 67981332
(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603340
(1R)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603339
1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine
CID 18543623
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
(1R)-1-[4-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171199061
1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine
CID 79691066

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
The IUPAC name of 1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine (CID 61032956) is 1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
The canonical SMILES for 1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine is CCC(N)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
The InChIKey is JGKCKOXGZICLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-2-15(20)13-5-3-11(4-6-13)12-7-9-14(10-8-12)16(17,18)19/h3-10,15H,2,20H2,1H3.
What are the key properties of 1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine?
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine is sourced from PubChem (CID 61032956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).