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

C14H10F3IN2O — CID 169383769

IUPACN-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline
SMILESFC(F)(F)Oc1ccc(C=NNc2ccccc2)cc1I
InChIInChI=1S/C14H10F3IN2O/c15-14(16,17)21-13-7-6-10(8-12(13)18)9-19-20-11-4-2-1-3-5-11/h1-9,20H
InChIKeyWTMJTWCNHBANCI-UHFFFAOYSA-N
MW406.15 g/mol
LogP4.64
Rot. Bonds4

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

N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline (PubChem CID 169383769) has the molecular formula C14H10F3IN2O and a molecular weight of 406.15 g/mol. Its IUPAC name is N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline
PubChem CID169383769
Molecular FormulaC14H10F3IN2O
Molecular Weight406.15 g/mol
Exact Mass405.98
IUPAC NameN-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline
SMILESFC(F)(F)Oc1ccc(C=NNc2ccccc2)cc1I
InChIInChI=1S/C14H10F3IN2O/c15-14(16,17)21-13-7-6-10(8-12(13)18)9-19-20-11-4-2-1-3-5-11/h1-9,20H
InChIKeyWTMJTWCNHBANCI-UHFFFAOYSA-N
XLogP4.64
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.15
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169384149
N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169382931
N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169384130
2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137080181
N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169382672
N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline
CID 71145982
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
2-iodo-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137034388
2-iodo-6-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381560
N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline
CID 172930208
N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
CID 169383589

Frequently Asked Questions

What is the IUPAC name of N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline (CID 169383769) is N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline is FC(F)(F)Oc1ccc(C=NNc2ccccc2)cc1I.
What is the InChIKey of N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline?
The InChIKey is WTMJTWCNHBANCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3IN2O/c15-14(16,17)21-13-7-6-10(8-12(13)18)9-19-20-11-4-2-1-3-5-11/h1-9,20H.
What are the key properties of N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline?
N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline has a molecular weight of 406.15 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169383769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).