1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine

C16H21N3O — CID 106759471

IUPAC1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine
SMILESCCOc1cccc(Nc2ccccc2N(C)C)c1N
InChIInChI=1S/C16H21N3O/c1-4-20-15-11-7-9-13(16(15)17)18-12-8-5-6-10-14(12)19(2)3/h5-11,18H,4,17H2,1-3H3
InChIKeyQQLUWKYDBZXPPJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.48
Rot. Bonds5

About 1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine

1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine (PubChem CID 106759471) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine
PubChem CID106759471
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine
SMILESCCOc1cccc(Nc2ccccc2N(C)C)c1N
InChIInChI=1S/C16H21N3O/c1-4-20-15-11-7-9-13(16(15)17)18-12-8-5-6-10-14(12)19(2)3/h5-11,18H,4,17H2,1-3H3
InChIKeyQQLUWKYDBZXPPJ-UHFFFAOYSA-N
XLogP3.48
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-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

1-N-[2-(dimethylamino)phenyl]-3-methylbenzene-1,2-diamine
CID 114041371
3-chloro-1-N-[2-(dimethylamino)phenyl]benzene-1,2-diamine
CID 106759458
2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol
CID 43726584
2,3-diethoxy-N,N-dimethylaniline
CID 150665262
3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine
CID 113392453
4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol
CID 106120202
3-ethoxy-1-N-(2-methyl-2-methylsulfanylpropyl)benzene-1,2-diamine
CID 113478575
3-(2-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide
CID 106914206
2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine
CID 106759477
methyl 3-(2-amino-3-ethoxyanilino)propanoate
CID 113392554
2-(2-amino-3-ethoxyanilino)ethylurea
CID 113392780
3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine
CID 114099220

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine (CID 106759471) is 1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine is CCOc1cccc(Nc2ccccc2N(C)C)c1N.
What is the InChIKey of 1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine?
The InChIKey is QQLUWKYDBZXPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-20-15-11-7-9-13(16(15)17)18-12-8-5-6-10-14(12)19(2)3/h5-11,18H,4,17H2,1-3H3.
What are the key properties of 1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine?
1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine has a molecular weight of 271.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine is sourced from PubChem (CID 106759471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).