N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline

C14H10F3IN2 — CID 169384130

IUPACN-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFC(F)(F)c1ccc(C=NNc2ccccc2)cc1I
InChIInChI=1S/C14H10F3IN2/c15-14(16,17)12-7-6-10(8-13(12)18)9-19-20-11-4-2-1-3-5-11/h1-9,20H
InChIKeyVZQHTSSGCSCRLV-UHFFFAOYSA-N
MW390.15 g/mol
LogP4.76
Rot. Bonds3

About N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline

N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline (PubChem CID 169384130) has the molecular formula C14H10F3IN2 and a molecular weight of 390.15 g/mol. Its IUPAC name is N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline
PubChem CID169384130
Molecular FormulaC14H10F3IN2
Molecular Weight390.15 g/mol
Exact Mass389.98
IUPAC NameN-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFC(F)(F)c1ccc(C=NNc2ccccc2)cc1I
InChIInChI=1S/C14H10F3IN2/c15-14(16,17)12-7-6-10(8-13(12)18)9-19-20-11-4-2-1-3-5-11/h1-9,20H
InChIKeyVZQHTSSGCSCRLV-UHFFFAOYSA-N
XLogP4.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.15
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169383769
N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169384149
2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137080181
N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline
CID 71145982
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol
CID 169383629
N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169382931
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
N-[[4-iodo-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577579
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169383558

Frequently Asked Questions

What is the IUPAC name of N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline (CID 169384130) is N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline is FC(F)(F)c1ccc(C=NNc2ccccc2)cc1I.
What is the InChIKey of N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The InChIKey is VZQHTSSGCSCRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3IN2/c15-14(16,17)12-7-6-10(8-13(12)18)9-19-20-11-4-2-1-3-5-11/h1-9,20H.
What are the key properties of N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline?
N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline has a molecular weight of 390.15 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169384130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).