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

C14H15Br2N3 — CID 107582683

IUPACN-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine
SMILESCc1cc(Br)cc(NC(CN)c2cncc(Br)c2)c1
InChIInChI=1S/C14H15Br2N3/c1-9-2-11(15)5-13(3-9)19-14(6-17)10-4-12(16)8-18-7-10/h2-5,7-8,14,19H,6,17H2,1H3
InChIKeyMUVSYTNXQRVCHG-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.03
Rot. Bonds4

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

N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine (PubChem CID 107582683) has the molecular formula C14H15Br2N3 and a molecular weight of 385.10 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine
PubChem CID107582683
Molecular FormulaC14H15Br2N3
Molecular Weight385.10 g/mol
Exact Mass382.96
IUPAC NameN-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine
SMILESCc1cc(Br)cc(NC(CN)c2cncc(Br)c2)c1
InChIInChI=1S/C14H15Br2N3/c1-9-2-11(15)5-13(3-9)19-14(6-17)10-4-12(16)8-18-7-10/h2-5,7-8,14,19H,6,17H2,1H3
InChIKeyMUVSYTNXQRVCHG-UHFFFAOYSA-N
XLogP4.03
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine (CID 107582683) is N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine is Cc1cc(Br)cc(NC(CN)c2cncc(Br)c2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is MUVSYTNXQRVCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3/c1-9-2-11(15)5-13(3-9)19-14(6-17)10-4-12(16)8-18-7-10/h2-5,7-8,14,19H,6,17H2,1H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine?
N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 385.10 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 107582683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).