N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine

C19H26N2O2 — CID 54808068

IUPACN'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(NCCNc2cccc(OCC)c2)cc1
InChIInChI=1S/C19H26N2O2/c1-3-14-23-18-10-8-16(9-11-18)20-12-13-21-17-6-5-7-19(15-17)22-4-2/h5-11,15,20-21H,3-4,12-14H2,1-2H3
InChIKeyVWQGCGXOBWNXKC-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.40
Rot. Bonds10

About N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine

N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 54808068) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID54808068
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(NCCNc2cccc(OCC)c2)cc1
InChIInChI=1S/C19H26N2O2/c1-3-14-23-18-10-8-16(9-11-18)20-12-13-21-17-6-5-7-19(15-17)22-4-2/h5-11,15,20-21H,3-4,12-14H2,1-2H3
InChIKeyVWQGCGXOBWNXKC-UHFFFAOYSA-N
XLogP4.40
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-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

N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
CID 54805927
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
3-ethoxy-N-propylaniline
CID 54800867
N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine
CID 54810103
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
N'-(3-heptoxyphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806056
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54805983

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine (CID 54808068) is N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc(NCCNc2cccc(OCC)c2)cc1.
What is the InChIKey of N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is VWQGCGXOBWNXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-14-23-18-10-8-16(9-11-18)20-12-13-21-17-6-5-7-19(15-17)22-4-2/h5-11,15,20-21H,3-4,12-14H2,1-2H3.
What are the key properties of N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine?
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 314.43 g/mol, XLogP of 4.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54808068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).