2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine

C18H18F3N — CID 67981332

IUPAC2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
SMILESNC(CC1CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H18F3N/c19-18(20,21)16-9-7-14(8-10-16)13-3-5-15(6-4-13)17(22)11-12-1-2-12/h3-10,12,17H,1-2,11,22H2
InChIKeyNYNYKDVBUNAWNJ-UHFFFAOYSA-N
MW305.34 g/mol
LogP5.17
Rot. Bonds4

About 2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine

2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine (PubChem CID 67981332) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
PubChem CID67981332
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC Name2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
SMILESNC(CC1CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H18F3N/c19-18(20,21)16-9-7-14(8-10-16)13-3-5-15(6-4-13)17(22)11-12-1-2-12/h3-10,12,17H,1-2,11,22H2
InChIKeyNYNYKDVBUNAWNJ-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.34
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 171208431
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
(R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 171211545
(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 67344023
3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170875067
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473
(3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride
CID 171231171
(1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 171209533

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine?
The IUPAC name of 2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine (CID 67981332) is 2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine?
The canonical SMILES for 2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine is NC(CC1CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine?
The InChIKey is NYNYKDVBUNAWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N/c19-18(20,21)16-9-7-14(8-10-16)13-3-5-15(6-4-13)17(22)11-12-1-2-12/h3-10,12,17H,1-2,11,22H2.
What are the key properties of 2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine?
2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine has a molecular weight of 305.34 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine is sourced from PubChem (CID 67981332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).