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

C15H17BrN2O — CID 65383369

IUPAC1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccccc1NC(CN)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-19-15-5-3-2-4-13(15)18-14(10-17)11-6-8-12(16)9-7-11/h2-9,14,18H,10,17H2,1H3
InChIKeyKGQYHYSZGMOPDV-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.57
Rot. Bonds5

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

1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine (PubChem CID 65383369) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
PubChem CID65383369
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccccc1NC(CN)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-19-15-5-3-2-4-13(15)18-14(10-17)11-6-8-12(16)9-7-11/h2-9,14,18H,10,17H2,1H3
InChIKeyKGQYHYSZGMOPDV-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

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Related Compounds

1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378132
N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 65383986
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
2-N-(2-methoxyphenyl)propane-1,2-diamine
CID 65383995
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060
1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377943
N-[1-(4-bromophenyl)-3-phenylprop-2-ynyl]-2-methoxyaniline
CID 11646828
3-(2-methoxyanilino)-3-phenylpropanenitrile
CID 62778351
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384694
2-N-(2-methoxyphenyl)pentane-1,2-diamine
CID 65385480
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol
CID 83230067
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine (CID 65383369) is 1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine is COc1ccccc1NC(CN)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is KGQYHYSZGMOPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-19-15-5-3-2-4-13(15)18-14(10-17)11-6-8-12(16)9-7-11/h2-9,14,18H,10,17H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine?
1-(4-bromophenyl)-N-(2-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-(2-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65383369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).