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

C16H19BrN2O2 — CID 65377060

IUPACN-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C16H19BrN2O2/c1-20-15-8-3-11(9-16(15)21-2)14(10-18)19-13-6-4-12(17)5-7-13/h3-9,14,19H,10,18H2,1-2H3
InChIKeyWJUVXGCGFZIRTM-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.58
Rot. Bonds6

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

N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine (PubChem CID 65377060) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
PubChem CID65377060
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC NameN-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C16H19BrN2O2/c1-20-15-8-3-11(9-16(15)21-2)14(10-18)19-13-6-4-12(17)5-7-13/h3-9,14,19H,10,18H2,1-2H3
InChIKeyWJUVXGCGFZIRTM-UHFFFAOYSA-N
XLogP3.58
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65378384
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
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
3-(4-bromophenyl)-3-(4-chloroanilino)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 132591765
3-(4-bromoanilino)-3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)propan-1-one
CID 132593632
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-3-(4-ethylanilino)propan-1-one
CID 132592463
1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 81437083
1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 65383369
1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377943

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine (CID 65377060) is N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine is COc1ccc(C(CN)Nc2ccc(Br)cc2)cc1OC.
What is the InChIKey of N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is WJUVXGCGFZIRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-20-15-8-3-11(9-16(15)21-2)14(10-18)19-13-6-4-12(17)5-7-13/h3-9,14,19H,10,18H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine?
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 351.24 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65377060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).