1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine

C15H17BrN2O — CID 65385796

IUPAC1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NC(CN)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H17BrN2O/c1-19-14-8-6-13(7-9-14)18-15(10-17)11-2-4-12(16)5-3-11/h2-9,15,18H,10,17H2,1H3
InChIKeyBSBVCJCLWJUFIB-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine

1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 65385796) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
PubChem CID65385796
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NC(CN)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H17BrN2O/c1-19-14-8-6-13(7-9-14)18-15(10-17)11-2-4-12(16)5-3-11/h2-9,15,18H,10,17H2,1H3
InChIKeyBSBVCJCLWJUFIB-UHFFFAOYSA-N
XLogP3.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
CID 139240301
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060
N-[(1R)-1-(4-bromophenyl)-2-nitroethyl]-4-methoxyaniline
CID 102291890
(3S)-3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 100817110
(3S)-1-(4-bromophenyl)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propan-1-one
CID 94844105
1-(4-bromo-3-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 66481166
1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 105405065
N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine
CID 107582913
1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 65383369
N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65383877
3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 584014
1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 66158421

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine (CID 65385796) is 1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine is COc1ccc(NC(CN)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is BSBVCJCLWJUFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-19-14-8-6-13(7-9-14)18-15(10-17)11-2-4-12(16)5-3-11/h2-9,15,18H,10,17H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 321.22 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65385796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).