4-bromo-2-chloro-N-iodo-6-methylaniline

C7H6BrClIN — CID 163457566

IUPAC4-bromo-2-chloro-N-iodo-6-methylaniline
SMILESCc1cc(Br)cc(Cl)c1NI
InChIInChI=1S/C7H6BrClIN/c1-4-2-5(8)3-6(9)7(4)11-10/h2-3,11H,1H3
InChIKeyBLTRKDGOOFBOIE-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.17
Rot. Bonds1

About 4-bromo-2-chloro-N-iodo-6-methylaniline

4-bromo-2-chloro-N-iodo-6-methylaniline (PubChem CID 163457566) has the molecular formula C7H6BrClIN and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-iodo-6-methylaniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-iodo-6-methylaniline
PubChem CID163457566
Molecular FormulaC7H6BrClIN
Molecular Weight346.39 g/mol
Exact Mass344.84
IUPAC Name4-bromo-2-chloro-N-iodo-6-methylaniline
SMILESCc1cc(Br)cc(Cl)c1NI
InChIInChI=1S/C7H6BrClIN/c1-4-2-5(8)3-6(9)7(4)11-10/h2-3,11H,1H3
InChIKeyBLTRKDGOOFBOIE-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,6-dichloro-N-methylaniline
CID 23345299
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-3-chloropyridin-2-amine
CID 103583373
N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide
CID 58097339
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline
CID 114281829
4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline
CID 28993156
1-(4-bromo-2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea
CID 159080557
4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline
CID 63686996
N-(4-bromo-2,6-dimethylphenyl)-2,5-dichloropyrimidin-4-amine
CID 79632109
4-(4-bromo-2,6-dimethylanilino)-2-chlorobenzenecarbothioamide
CID 65499374

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-iodo-6-methylaniline?
The IUPAC name of 4-bromo-2-chloro-N-iodo-6-methylaniline (CID 163457566) is 4-bromo-2-chloro-N-iodo-6-methylaniline.
What is the SMILES notation for 4-bromo-2-chloro-N-iodo-6-methylaniline?
The canonical SMILES for 4-bromo-2-chloro-N-iodo-6-methylaniline is Cc1cc(Br)cc(Cl)c1NI.
What is the InChIKey of 4-bromo-2-chloro-N-iodo-6-methylaniline?
The InChIKey is BLTRKDGOOFBOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClIN/c1-4-2-5(8)3-6(9)7(4)11-10/h2-3,11H,1H3.
What are the key properties of 4-bromo-2-chloro-N-iodo-6-methylaniline?
4-bromo-2-chloro-N-iodo-6-methylaniline has a molecular weight of 346.39 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-iodo-6-methylaniline is sourced from PubChem (CID 163457566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).