N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine

C15H16Br2N2 — CID 107582913

IUPACN-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine
SMILESCc1cc(Br)cc(NC(CN)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H16Br2N2/c1-10-6-13(17)8-14(7-10)19-15(9-18)11-2-4-12(16)5-3-11/h2-8,15,19H,9,18H2,1H3
InChIKeyGTPOCMKVVSKYMM-UHFFFAOYSA-N
MW384.12 g/mol
LogP4.63
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine

N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine (PubChem CID 107582913) has the molecular formula C15H16Br2N2 and a molecular weight of 384.12 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine
PubChem CID107582913
Molecular FormulaC15H16Br2N2
Molecular Weight384.12 g/mol
Exact Mass381.97
IUPAC NameN-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine
SMILESCc1cc(Br)cc(NC(CN)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H16Br2N2/c1-10-6-13(17)8-14(7-10)19-15(9-18)11-2-4-12(16)5-3-11/h2-8,15,19H,9,18H2,1H3
InChIKeyGTPOCMKVVSKYMM-UHFFFAOYSA-N
XLogP4.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.12
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 107582847
N-(3,5-dimethylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 82131994
N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine
CID 107582683
N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 107582817
N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 107582876
1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 105405065
3-bromo-N-[1-(4-chlorophenyl)propyl]-5-methylaniline
CID 107582181
1-(4-bromo-3-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 66481166
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
1-(1-benzofuran-2-yl)-N-(3-bromo-5-methylphenyl)ethane-1,2-diamine
CID 107582891
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060
4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline
CID 107571835

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine (CID 107582913) is N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine is Cc1cc(Br)cc(NC(CN)c2ccc(Br)cc2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine?
The InChIKey is GTPOCMKVVSKYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2/c1-10-6-13(17)8-14(7-10)19-15(9-18)11-2-4-12(16)5-3-11/h2-8,15,19H,9,18H2,1H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine?
N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine has a molecular weight of 384.12 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine is sourced from PubChem (CID 107582913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).