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

C12H13F3N2 — CID 156880609

IUPAC(Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine
SMILESCC(=C/N)/C=N/Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2/c1-9(6-16)7-17-8-10-3-2-4-11(5-10)12(13,14)15/h2-7H,8,16H2,1H3/b9-6-,17-7+
InChIKeySPJBRUYZCQGFOA-ZJNYJYAASA-N
MW242.24 g/mol
LogP3.14
Rot. Bonds3

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

(Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine (PubChem CID 156880609) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is (Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine
PubChem CID156880609
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name(Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine
SMILESCC(=C/N)/C=N/Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2/c1-9(6-16)7-17-8-10-3-2-4-11(5-10)12(13,14)15/h2-7H,8,16H2,1H3/b9-6-,17-7+
InChIKeySPJBRUYZCQGFOA-ZJNYJYAASA-N
XLogP3.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 62363272
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CID 142437514
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide
CID 77077245
1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene
CID 139245537
3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol
CID 67931210
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
1-(4-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111026700
[3-(trifluoromethyl)phenyl]methylphosphonamidic acid
CID 57291400
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine?
The IUPAC name of (Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine (CID 156880609) is (Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine.
What is the SMILES notation for (Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine?
The canonical SMILES for (Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine is CC(=C/N)/C=N/Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine?
The InChIKey is SPJBRUYZCQGFOA-ZJNYJYAASA-N. The full InChI is InChI=1S/C12H13F3N2/c1-9(6-16)7-17-8-10-3-2-4-11(5-10)12(13,14)15/h2-7H,8,16H2,1H3/b9-6-,17-7+.
What are the key properties of (Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine?
(Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine has a molecular weight of 242.24 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylimino]prop-1-en-1-amine is sourced from PubChem (CID 156880609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).