1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine

C15H16BrClN2 — CID 104721910

IUPAC1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C15H16BrClN2/c1-10-5-6-13(8-14(10)17)19-15(9-18)11-3-2-4-12(16)7-11/h2-8,15,19H,9,18H2,1H3
InChIKeyHBXIIUPAVFPDNN-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.52
Rot. Bonds4

About 1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine

1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine (PubChem CID 104721910) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
PubChem CID104721910
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C15H16BrClN2/c1-10-5-6-13(8-14(10)17)19-15(9-18)11-3-2-4-12(16)7-11/h2-8,15,19H,9,18H2,1H3
InChIKeyHBXIIUPAVFPDNN-UHFFFAOYSA-N
XLogP4.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 104721774
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 104721816
N-(3-chloro-4-methylphenyl)-1-(3-cyclopropylphenyl)ethane-1,2-diamine
CID 104721689
1-(4-bromothiophen-2-yl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721794
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471
1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65382973
N-(3-chloro-4-methylphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 104721726
N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107573232
N-(3-chloro-4-methylphenyl)-1-[4-(methoxymethyl)phenyl]ethane-1,2-diamine
CID 104721868
N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547
5-[1-(3-bromophenyl)propylamino]-2-methylphenol
CID 107699992
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine (CID 104721910) is 1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine is Cc1ccc(NC(CN)c2cccc(Br)c2)cc1Cl.
What is the InChIKey of 1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine?
The InChIKey is HBXIIUPAVFPDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-10-5-6-13(8-14(10)17)19-15(9-18)11-3-2-4-12(16)7-11/h2-8,15,19H,9,18H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine?
1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine has a molecular weight of 339.66 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 104721910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).