(Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine

C16H13F3N2 — CID 162550833

IUPAC(Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine
SMILES[H]/N=C(\C=C(/N)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13F3N2/c17-16(18,19)13-9-5-4-8-12(13)15(21)10-14(20)11-6-2-1-3-7-11/h1-10,21H,20H2/b14-10-,21-15+
InChIKeyALEZZXVJFRLMGV-BIYZFGMXSA-N
MW290.29 g/mol
LogP4.07
Rot. Bonds3

About (Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine

(Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine (PubChem CID 162550833) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is (Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine
PubChem CID162550833
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name(Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine
SMILES[H]/N=C(\C=C(/N)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13F3N2/c17-16(18,19)13-9-5-4-8-12(13)15(21)10-14(20)11-6-2-1-3-7-11/h1-10,21H,20H2/b14-10-,21-15+
InChIKeyALEZZXVJFRLMGV-BIYZFGMXSA-N
XLogP4.07
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
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CID 122360504
2-[(Z)-3-amino-3-(4-fluorophenyl)prop-2-enimidoyl]-6-fluorobenzamide
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(Z)-4-amino-1,1,1-trifluoro-4-phenylbut-3-en-2-one
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(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine
CID 145412713
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene
CID 145412712
(Z)-3-imino-1,3-dipyridin-4-ylprop-1-en-1-amine
CID 118228085
N-[(2S)-1-acetamido-3-phenylpropan-2-yl]-2-[(Z)-3-amino-3-phenylprop-2-enimidoyl]benzamide
CID 145217639
2,2,2-trifluoroethyl (Z)-3-amino-3-phenylprop-2-enoate
CID 102048731
(E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 59499325

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine (CID 162550833) is (Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine is [H]/N=C(\C=C(/N)c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of (Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine?
The InChIKey is ALEZZXVJFRLMGV-BIYZFGMXSA-N. The full InChI is InChI=1S/C16H13F3N2/c17-16(18,19)13-9-5-4-8-12(13)15(21)10-14(20)11-6-2-1-3-7-11/h1-10,21H,20H2/b14-10-,21-15+.
What are the key properties of (Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine?
(Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine has a molecular weight of 290.29 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine is sourced from PubChem (CID 162550833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).