N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline

C13H10Cl2IN — CID 28878736

IUPACN-[(2,6-dichlorophenyl)methyl]-4-iodoaniline
SMILESClc1cccc(Cl)c1CNc1ccc(I)cc1
InChIInChI=1S/C13H10Cl2IN/c14-12-2-1-3-13(15)11(12)8-17-10-6-4-9(16)5-7-10/h1-7,17H,8H2
InChIKeyGYCYPWZKIXBXFC-UHFFFAOYSA-N
MW378.04 g/mol
LogP5.21
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline

N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline (PubChem CID 28878736) has the molecular formula C13H10Cl2IN and a molecular weight of 378.04 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-4-iodoaniline
PubChem CID28878736
Molecular FormulaC13H10Cl2IN
Molecular Weight378.04 g/mol
Exact Mass376.92
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-4-iodoaniline
SMILESClc1cccc(Cl)c1CNc1ccc(I)cc1
InChIInChI=1S/C13H10Cl2IN/c14-12-2-1-3-13(15)11(12)8-17-10-6-4-9(16)5-7-10/h1-7,17H,8H2
InChIKeyGYCYPWZKIXBXFC-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.04
LogP ≤ 55.21
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-6-methoxyphenyl)methyl]-4-iodoaniline
CID 104815730
N-[(2-chlorophenyl)methyl]-4-iodoaniline
CID 28878735
2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile
CID 43231843
N-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 30055205
3-chloro-2-[(3-iodo-4-methylanilino)methyl]phenol
CID 114318031
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 43230331
N,N'-bis(4-iodophenyl)methanediamine
CID 102159523
3-chloro-2-[(4-propan-2-yloxyanilino)methyl]phenol
CID 79479384
4-bromo-N-[(2-chloro-6-methylsulfonylphenyl)methyl]aniline
CID 83169873
N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60942944
3-chloro-N-[(4-iodophenyl)methyl]aniline
CID 65477156
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline (CID 28878736) is N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline is Clc1cccc(Cl)c1CNc1ccc(I)cc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline?
The InChIKey is GYCYPWZKIXBXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2IN/c14-12-2-1-3-13(15)11(12)8-17-10-6-4-9(16)5-7-10/h1-7,17H,8H2.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline?
N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline has a molecular weight of 378.04 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline is sourced from PubChem (CID 28878736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).