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

C16H19BrN2O — CID 65384694

IUPACN-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(CN)Nc2ccccc2Br)cc1
InChIInChI=1S/C16H19BrN2O/c1-2-20-13-9-7-12(8-10-13)16(11-18)19-15-6-4-3-5-14(15)17/h3-10,16,19H,2,11,18H2,1H3
InChIKeyBQIJIAWBASTYLM-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.96
Rot. Bonds6

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

N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine (PubChem CID 65384694) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
PubChem CID65384694
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(CN)Nc2ccccc2Br)cc1
InChIInChI=1S/C16H19BrN2O/c1-2-20-13-9-7-12(8-10-13)16(11-18)19-15-6-4-3-5-14(15)17/h3-10,16,19H,2,11,18H2,1H3
InChIKeyBQIJIAWBASTYLM-UHFFFAOYSA-N
XLogP3.96
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65384260
N-(3-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65376857
2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol
CID 62497133
2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43101763
N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 65383417
1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine
CID 65383419
N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 65384259
N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine
CID 65384490
3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline
CID 107630164
N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384964
1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 65383369
2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline
CID 107597432

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine (CID 65384694) is N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine is CCOc1ccc(C(CN)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine?
The InChIKey is BQIJIAWBASTYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-2-20-13-9-7-12(8-10-13)16(11-18)19-15-6-4-3-5-14(15)17/h3-10,16,19H,2,11,18H2,1H3.
What are the key properties of N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine?
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine has a molecular weight of 335.25 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65384694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).