N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine

C16H18BrClN2 — CID 107573232

IUPACN-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
SMILESCc1cc(NC(CN)c2cccc(Cl)c2)cc(C)c1Br
InChIInChI=1S/C16H18BrClN2/c1-10-6-14(7-11(2)16(10)17)20-15(9-19)12-4-3-5-13(18)8-12/h3-8,15,20H,9,19H2,1-2H3
InChIKeyZXKHBGQGZVQWOG-UHFFFAOYSA-N
MW353.69 g/mol
LogP4.83
Rot. Bonds4

About N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine

N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine (PubChem CID 107573232) has the molecular formula C16H18BrClN2 and a molecular weight of 353.69 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
PubChem CID107573232
Molecular FormulaC16H18BrClN2
Molecular Weight353.69 g/mol
Exact Mass352.03
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
SMILESCc1cc(NC(CN)c2cccc(Cl)c2)cc(C)c1Br
InChIInChI=1S/C16H18BrClN2/c1-10-6-14(7-11(2)16(10)17)20-15(9-19)12-4-3-5-13(18)8-12/h3-8,15,20H,9,19H2,1-2H3
InChIKeyZXKHBGQGZVQWOG-UHFFFAOYSA-N
XLogP4.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
N-(4-bromo-3,5-dimethylphenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 107573259
N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107364593
N-(4-bromo-3,5-dimethylphenyl)-1-(2-chloro-6-fluorophenyl)ethane-1,2-diamine
CID 107573239
1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721910
3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 65377403
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495
N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 65384440
N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65382748
1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 81144777
1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 65380315

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine (CID 107573232) is N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine is Cc1cc(NC(CN)c2cccc(Cl)c2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine?
The InChIKey is ZXKHBGQGZVQWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2/c1-10-6-14(7-11(2)16(10)17)20-15(9-19)12-4-3-5-13(18)8-12/h3-8,15,20H,9,19H2,1-2H3.
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine?
N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine has a molecular weight of 353.69 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 107573232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).