3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine

C14H24N2O2 — CID 103410198

IUPAC3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine
SMILESCCN(CCCOCCOC)c1cccc(N)c1
InChIInChI=1S/C14H24N2O2/c1-3-16(8-5-9-18-11-10-17-2)14-7-4-6-13(15)12-14/h4,6-7,12H,3,5,8-11,15H2,1-2H3
InChIKeyWBEXFXZCGIIDSX-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.15
Rot. Bonds9

About 3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine

3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine (PubChem CID 103410198) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine
PubChem CID103410198
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine
SMILESCCN(CCCOCCOC)c1cccc(N)c1
InChIInChI=1S/C14H24N2O2/c1-3-16(8-5-9-18-11-10-17-2)14-7-4-6-13(15)12-14/h4,6-7,12H,3,5,8-11,15H2,1-2H3
InChIKeyWBEXFXZCGIIDSX-UHFFFAOYSA-N
XLogP2.15
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-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

3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
3-(3-amino-N-ethylanilino)propan-1-ol
CID 63229758
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
CID 156571603
3-N-ethyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 63230057
3-N-methyl-3-N-[3-(2,2,2-trifluoroethoxy)propyl]benzene-1,3-diamine
CID 54962238
3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 102813670
2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine
CID 103410200
3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180359
3-N-ethyl-3-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,3-diamine
CID 116616304
3-N-ethyl-3-N-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine
CID 107912737

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine (CID 103410198) is 3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine is CCN(CCCOCCOC)c1cccc(N)c1.
What is the InChIKey of 3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine?
The InChIKey is WBEXFXZCGIIDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-16(8-5-9-18-11-10-17-2)14-7-4-6-13(15)12-14/h4,6-7,12H,3,5,8-11,15H2,1-2H3.
What are the key properties of 3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine?
3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine is sourced from PubChem (CID 103410198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).