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

C15H16Br2N2 — CID 105405065

IUPAC1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)Nc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C15H16Br2N2/c1-10-2-3-11(8-14(10)17)15(9-18)19-13-6-4-12(16)5-7-13/h2-8,15,19H,9,18H2,1H3
InChIKeyHOTZLZDSEFODBP-UHFFFAOYSA-N
MW384.12 g/mol
LogP4.63
Rot. Bonds4

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

1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine (PubChem CID 105405065) has the molecular formula C15H16Br2N2 and a molecular weight of 384.12 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
PubChem CID105405065
Molecular FormulaC15H16Br2N2
Molecular Weight384.12 g/mol
Exact Mass381.97
IUPAC Name1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)Nc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C15H16Br2N2/c1-10-2-3-11(8-14(10)17)15(9-18)19-13-6-4-12(16)5-7-13/h2-8,15,19H,9,18H2,1H3
InChIKeyHOTZLZDSEFODBP-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

1-(4-bromo-3-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 66481166
1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 81437083
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine
CID 107582913
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471
1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721910
1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine
CID 105405049
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 65385553
N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 107582847

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine (CID 105405065) is 1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine is Cc1ccc(C(CN)Nc2ccc(Br)cc2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine?
The InChIKey is HOTZLZDSEFODBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2/c1-10-2-3-11(8-14(10)17)15(9-18)19-13-6-4-12(16)5-7-13/h2-8,15,19H,9,18H2,1H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine?
1-(3-bromo-4-methylphenyl)-N-(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 1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine is sourced from PubChem (CID 105405065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).