1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine

C15H16BrClN2O — CID 66158421

IUPAC1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NC(CN)c2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C15H16BrClN2O/c1-20-12-5-3-11(4-6-12)19-15(9-18)13-8-10(17)2-7-14(13)16/h2-8,15,19H,9,18H2,1H3
InChIKeyVZOMRRXECLTCQW-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.22
Rot. Bonds5

About 1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine

1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 66158421) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
PubChem CID66158421
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NC(CN)c2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C15H16BrClN2O/c1-20-12-5-3-11(4-6-12)19-15(9-18)13-8-10(17)2-7-14(13)16/h2-8,15,19H,9,18H2,1H3
InChIKeyVZOMRRXECLTCQW-UHFFFAOYSA-N
XLogP4.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.22
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

2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol
CID 66156093
N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine
CID 114843404
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65384942
N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385525
2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol
CID 61044772
1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65384943
N-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
[1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105342752
1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 65384893
1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862
N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 65384896

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine (CID 66158421) is 1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine is COc1ccc(NC(CN)c2cc(Cl)ccc2Br)cc1.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is VZOMRRXECLTCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-20-12-5-3-11(4-6-12)19-15(9-18)13-8-10(17)2-7-14(13)16/h2-8,15,19H,9,18H2,1H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 355.66 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66158421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).