N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine

C15H17BrN2 — CID 65383417

IUPACN-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1C(CN)Nc1ccccc1Br
InChIInChI=1S/C15H17BrN2/c1-11-6-2-3-7-12(11)15(10-17)18-14-9-5-4-8-13(14)16/h2-9,15,18H,10,17H2,1H3
InChIKeyPPHKEHYZTXYEQW-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.87
Rot. Bonds4

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

N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 65383417) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine
PubChem CID65383417
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC NameN-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1C(CN)Nc1ccccc1Br
InChIInChI=1S/C15H17BrN2/c1-11-6-2-3-7-12(11)15(10-17)18-14-9-5-4-8-13(14)16/h2-9,15,18H,10,17H2,1H3
InChIKeyPPHKEHYZTXYEQW-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-bis(2-bromophenyl)ethane-1,2-diamine
CID 65384493
N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 65383000
N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 65384259
1-(2-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65379210
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384694
1-(2,3-difluorophenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65378631
N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65376884
N-(2-bromophenyl)-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83090822
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65377791
N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine
CID 65384490
1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine
CID 65383419

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine (CID 65383417) is N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine is Cc1ccccc1C(CN)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is PPHKEHYZTXYEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11-6-2-3-7-12(11)15(10-17)18-14-9-5-4-8-13(14)16/h2-9,15,18H,10,17H2,1H3.
What are the key properties of N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine?
N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 305.22 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65383417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).