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

C16H19BrN2O — CID 65377367

IUPAC1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(Br)cc1C(CN)Nc1cccc(C)c1
InChIInChI=1S/C16H19BrN2O/c1-11-4-3-5-13(8-11)19-15(10-18)14-9-12(17)6-7-16(14)20-2/h3-9,15,19H,10,18H2,1-2H3
InChIKeyUUKAEYDUHYFOLH-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.88
Rot. Bonds5

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

1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 65377367) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID65377367
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(Br)cc1C(CN)Nc1cccc(C)c1
InChIInChI=1S/C16H19BrN2O/c1-11-4-3-5-13(8-11)19-15(10-18)14-9-12(17)6-7-16(14)20-2/h3-9,15,19H,10,18H2,1-2H3
InChIKeyUUKAEYDUHYFOLH-UHFFFAOYSA-N
XLogP3.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 61004978
1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377575
1-(2,5-dimethoxyphenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383399
N-benzyl-1-(5-bromo-2-methoxyphenyl)ethane-1,2-diamine
CID 65383167
1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63507204
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731
[2-(3-bromophenyl)-1-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105202744
1-(5-bromo-2-methoxyphenyl)-N-[(E)-pent-3-enyl]ethane-1,2-diamine
CID 113465486
2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol
CID 62131550
1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65378155
N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 65385518
N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378191

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine (CID 65377367) is 1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine is COc1ccc(Br)cc1C(CN)Nc1cccc(C)c1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is UUKAEYDUHYFOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11-4-3-5-13(8-11)19-15(10-18)14-9-12(17)6-7-16(14)20-2/h3-9,15,19H,10,18H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 335.25 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65377367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).