N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline

C14H13ClIN — CID 106862253

IUPACN-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline
SMILESCc1ccc(CNc2ccccc2I)c(Cl)c1
InChIInChI=1S/C14H13ClIN/c1-10-6-7-11(12(15)8-10)9-17-14-5-3-2-4-13(14)16/h2-8,17H,9H2,1H3
InChIKeyXGFDUYWQJSXGLQ-UHFFFAOYSA-N
MW357.62 g/mol
LogP4.87
Rot. Bonds3

About N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline

N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline (PubChem CID 106862253) has the molecular formula C14H13ClIN and a molecular weight of 357.62 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline
PubChem CID106862253
Molecular FormulaC14H13ClIN
Molecular Weight357.62 g/mol
Exact Mass356.98
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline
SMILESCc1ccc(CNc2ccccc2I)c(Cl)c1
InChIInChI=1S/C14H13ClIN/c1-10-6-7-11(12(15)8-10)9-17-14-5-3-2-4-13(14)16/h2-8,17H,9H2,1H3
InChIKeyXGFDUYWQJSXGLQ-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.62
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
CID 106862168
2-iodo-N-[(4-methylphenyl)methyl]aniline
CID 28878568
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
N-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine
CID 129211808
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 106862466
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053756
4-chloro-3-[(2-chloro-4-methylphenyl)methylamino]benzonitrile
CID 106862898
3-chloro-4-[(2-chloro-4-methylphenyl)methylamino]benzonitrile
CID 107807744
(2-chloro-4-methylphenyl)methylhydrazine
CID 106860884

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline (CID 106862253) is N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline is Cc1ccc(CNc2ccccc2I)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline?
The InChIKey is XGFDUYWQJSXGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClIN/c1-10-6-7-11(12(15)8-10)9-17-14-5-3-2-4-13(14)16/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline?
N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline has a molecular weight of 357.62 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-2-iodoaniline is sourced from PubChem (CID 106862253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).