N-[(2-iodo-6-methylphenyl)methylideneamino]aniline

C14H13IN2 — CID 169384048

IUPACN-[(2-iodo-6-methylphenyl)methylideneamino]aniline
SMILESCc1cccc(I)c1C=NNc1ccccc1
InChIInChI=1S/C14H13IN2/c1-11-6-5-9-14(15)13(11)10-16-17-12-7-3-2-4-8-12/h2-10,17H,1H3
InChIKeyFLOGQVGCCYSIFJ-UHFFFAOYSA-N
MW336.18 g/mol
LogP4.05
Rot. Bonds3

About N-[(2-iodo-6-methylphenyl)methylideneamino]aniline

N-[(2-iodo-6-methylphenyl)methylideneamino]aniline (PubChem CID 169384048) has the molecular formula C14H13IN2 and a molecular weight of 336.18 g/mol. Its IUPAC name is N-[(2-iodo-6-methylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2-iodo-6-methylphenyl)methylideneamino]aniline
PubChem CID169384048
Molecular FormulaC14H13IN2
Molecular Weight336.18 g/mol
Exact Mass336.01
IUPAC NameN-[(2-iodo-6-methylphenyl)methylideneamino]aniline
SMILESCc1cccc(I)c1C=NNc1ccccc1
InChIInChI=1S/C14H13IN2/c1-11-6-5-9-14(15)13(11)10-16-17-12-7-3-2-4-8-12/h2-10,17H,1H3
InChIKeyFLOGQVGCCYSIFJ-UHFFFAOYSA-N
XLogP4.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 54.05
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-[(2-bromo-6-iodophenyl)methylideneamino]aniline
CID 169384067
N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline
CID 71145982
[(2-iodo-6-methylphenyl)methylideneamino]thiourea
CID 168536356
N-[(6-methylquinolin-5-yl)methylideneamino]aniline
CID 169382791
N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline
CID 57372244
N-[(3-chloro-2-iodophenyl)methylideneamino]aniline
CID 169383776
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-methylaniline
CID 9059516
N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840190
N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline
CID 169381913
2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137080181
N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
CID 169381531
3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 78596974

Frequently Asked Questions

What is the IUPAC name of N-[(2-iodo-6-methylphenyl)methylideneamino]aniline?
The IUPAC name of N-[(2-iodo-6-methylphenyl)methylideneamino]aniline (CID 169384048) is N-[(2-iodo-6-methylphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2-iodo-6-methylphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2-iodo-6-methylphenyl)methylideneamino]aniline is Cc1cccc(I)c1C=NNc1ccccc1.
What is the InChIKey of N-[(2-iodo-6-methylphenyl)methylideneamino]aniline?
The InChIKey is FLOGQVGCCYSIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2/c1-11-6-5-9-14(15)13(11)10-16-17-12-7-3-2-4-8-12/h2-10,17H,1H3.
What are the key properties of N-[(2-iodo-6-methylphenyl)methylideneamino]aniline?
N-[(2-iodo-6-methylphenyl)methylideneamino]aniline has a molecular weight of 336.18 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodo-6-methylphenyl)methylideneamino]aniline is sourced from PubChem (CID 169384048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).