3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine

C10H16N2O — CID 173220801

IUPAC3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCOc1cccc(NC)c1NC
InChIInChI=1S/C10H16N2O/c1-4-13-9-7-5-6-8(11-2)10(9)12-3/h5-7,11-12H,4H2,1-3H3
InChIKeyKKYORBZXLAZRNM-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.17
Rot. Bonds4

About 3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine

3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 173220801) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID173220801
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCOc1cccc(NC)c1NC
InChIInChI=1S/C10H16N2O/c1-4-13-9-7-5-6-8(11-2)10(9)12-3/h5-7,11-12H,4H2,1-3H3
InChIKeyKKYORBZXLAZRNM-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethoxy-1-N,2-N-dimethylbenzene-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-ethoxy-5-fluoro-N-methylaniline
CID 82268266
N-(2-ethoxyphenyl)methanesulfinothioamide
CID 146252232
2-(2-ethoxyphenyl)-N-methyl-1,3-dihydroisoindol-4-amine
CID 117006157
3-(2-ethoxyanilino)-4-hydroxycyclobut-3-ene-1,2-dione
CID 20950471
(2-ethoxy-6-hydrazinylphenyl)methanol
CID 118830309
2-[4-(2-ethoxyanilino)anilino]phenol
CID 139619306
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline
CID 144784328
N-(2-ethoxyphenyl)methanethioamide
CID 88853700
3,5-diethoxy-N,2,4-trimethylaniline
CID 163819596
2-(aminomethoxy)-N-methylaniline
CID 68963769
6-N-(2-ethoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80763064
3-(2-ethoxyanilino)-4-methoxycyclobut-3-ene-1,2-dione
CID 59068096

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine (CID 173220801) is 3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine is CCOc1cccc(NC)c1NC.
What is the InChIKey of 3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is KKYORBZXLAZRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-13-9-7-5-6-8(11-2)10(9)12-3/h5-7,11-12H,4H2,1-3H3.
What are the key properties of 3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine?
3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 173220801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).