2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine

C16H19BrN2O — CID 65323306

IUPAC2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine
SMILESCCN(Cc1cc(OC)ccc1Br)c1ccccc1N
InChIInChI=1S/C16H19BrN2O/c1-3-19(16-7-5-4-6-15(16)18)11-12-10-13(20-2)8-9-14(12)17/h4-10H,3,11,18H2,1-2H3
InChIKeyYXAIXTRUYGRSRP-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.07
Rot. Bonds5

About 2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine

2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine (PubChem CID 65323306) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine
PubChem CID65323306
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine
SMILESCCN(Cc1cc(OC)ccc1Br)c1ccccc1N
InChIInChI=1S/C16H19BrN2O/c1-3-19(16-7-5-4-6-15(16)18)11-12-10-13(20-2)8-9-14(12)17/h4-10H,3,11,18H2,1-2H3
InChIKeyYXAIXTRUYGRSRP-UHFFFAOYSA-N
XLogP4.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate
CID 65326650
2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
CID 115413765
N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine
CID 65325974
2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
CID 104706778
2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine
CID 65326574
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
7-[(2-bromo-5-methoxyphenyl)methyl-ethylamino]-4-methylchromen-2-one
CID 134836131
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
2-[(N-butylanilino)methyl]-5-methoxyaniline
CID 115414199
3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-2-methylaniline
CID 79143942
3-bromo-4-[(N-ethyl-2-methylanilino)methyl]aniline
CID 60797264
3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine
CID 65325978

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine?
The IUPAC name of 2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine (CID 65323306) is 2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine is CCN(Cc1cc(OC)ccc1Br)c1ccccc1N.
What is the InChIKey of 2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine?
The InChIKey is YXAIXTRUYGRSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-19(16-7-5-4-6-15(16)18)11-12-10-13(20-2)8-9-14(12)17/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine?
2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine has a molecular weight of 335.25 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine is sourced from PubChem (CID 65323306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).