4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine

C17H14BrClN2 — CID 115555150

IUPAC4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H14BrClN2/c1-10-6-16(20)15(19)9-17(10)21-14-5-3-11-7-13(18)4-2-12(11)8-14/h2-9,21H,20H2,1H3
InChIKeyZZCGRCNUGDPQIG-UHFFFAOYSA-N
MW361.67 g/mol
LogP5.89
Rot. Bonds2

About 4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine

4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine (PubChem CID 115555150) has the molecular formula C17H14BrClN2 and a molecular weight of 361.67 g/mol. Its IUPAC name is 4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine
PubChem CID115555150
Molecular FormulaC17H14BrClN2
Molecular Weight361.67 g/mol
Exact Mass360.00
IUPAC Name4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H14BrClN2/c1-10-6-16(20)15(19)9-17(10)21-14-5-3-11-7-13(18)4-2-12(11)8-14/h2-9,21H,20H2,1H3
InChIKeyZZCGRCNUGDPQIG-UHFFFAOYSA-N
XLogP5.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.67
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 115554624
1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine
CID 81259489
4-N-(3-bromo-4-iodophenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 114261885
3-(4-amino-5-chloro-2-methylanilino)benzonitrile
CID 113334167
2-[4-(4-amino-5-chloro-2-methylanilino)phenyl]acetonitrile
CID 115554858
2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554524
N-(4-amino-5-chloro-2-methylphenyl)-4-bromo-2-methylbenzamide
CID 104667361
N-(6-bromonaphthalen-2-yl)-6-chloro-2-methylpyrimidin-4-amine
CID 81259369
4-N-(3-butan-2-yloxyphenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 115554865
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
4-(5-bromo-2-methylanilino)-2-chlorobenzenecarbothioamide
CID 62948625
2-chloro-4-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzene-1,4-diamine
CID 83076284

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine (CID 115555150) is 4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine is Cc1cc(N)c(Cl)cc1Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine?
The InChIKey is ZZCGRCNUGDPQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2/c1-10-6-16(20)15(19)9-17(10)21-14-5-3-11-7-13(18)4-2-12(11)8-14/h2-9,21H,20H2,1H3.
What are the key properties of 4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine?
4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine has a molecular weight of 361.67 g/mol, XLogP of 5.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-bromonaphthalen-2-yl)-2-chloro-5-methylbenzene-1,4-diamine is sourced from PubChem (CID 115555150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).