N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine

C18H17F6N — CID 89273186

IUPACN-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
SMILESCC(N[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H17F6N/c1-11(13-6-4-3-5-7-13)25-12(2)14-8-15(17(19,20)21)10-16(9-14)18(22,23)24/h3-12,25H,1-2H3/t11?,12-/m0/s1
InChIKeyOHYNAAXWPNIVOJ-KIYNQFGBSA-N
MW361.33 g/mol
LogP6.14
Rot. Bonds4

About N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine

N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine (PubChem CID 89273186) has the molecular formula C18H17F6N and a molecular weight of 361.33 g/mol. Its IUPAC name is N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
PubChem CID89273186
Molecular FormulaC18H17F6N
Molecular Weight361.33 g/mol
Exact Mass361.13
IUPAC NameN-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
SMILESCC(N[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H17F6N/c1-11(13-6-4-3-5-7-13)25-12(2)14-8-15(17(19,20)21)10-16(9-14)18(22,23)24/h3-12,25H,1-2H3/t11?,12-/m0/s1
InChIKeyOHYNAAXWPNIVOJ-KIYNQFGBSA-N
XLogP6.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.33
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
CID 111521938
(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine
CID 142869598
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 82685028
N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43202288
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
N-(1-naphthalen-2-ylethyl)-1-phenylethanamine
CID 22011039
N-[(1S)-1-(furan-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 81403701
2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717290
2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine
CID 81348788
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine?
The IUPAC name of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine (CID 89273186) is N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine.
What is the SMILES notation for N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine?
The canonical SMILES for N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine is CC(N[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine?
The InChIKey is OHYNAAXWPNIVOJ-KIYNQFGBSA-N. The full InChI is InChI=1S/C18H17F6N/c1-11(13-6-4-3-5-7-13)25-12(2)14-8-15(17(19,20)21)10-16(9-14)18(22,23)24/h3-12,25H,1-2H3/t11?,12-/m0/s1.
What are the key properties of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine?
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine has a molecular weight of 361.33 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine is sourced from PubChem (CID 89273186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).