N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine

C18H24N2O3 — CID 54807830

IUPACN'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1cccc(NCCNc2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H24N2O3/c1-4-23-16-7-5-6-14(12-16)19-10-11-20-17-13-15(21-2)8-9-18(17)22-3/h5-9,12-13,19-20H,4,10-11H2,1-3H3
InChIKeyFMGUDLFNCJCJHC-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.63
Rot. Bonds9

About N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine

N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine (PubChem CID 54807830) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
PubChem CID54807830
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1cccc(NCCNc2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H24N2O3/c1-4-23-16-7-5-6-14(12-16)19-10-11-20-17-13-15(21-2)8-9-18(17)22-3/h5-9,12-13,19-20H,4,10-11H2,1-3H3
InChIKeyFMGUDLFNCJCJHC-UHFFFAOYSA-N
XLogP3.63
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806144
N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54806452
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
3-ethoxy-N-propylaniline
CID 54800867
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807112
N'-(3,5-dimethylphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807611
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807795
2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54797025

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine (CID 54807830) is N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine is CCOc1cccc(NCCNc2cc(OC)ccc2OC)c1.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine?
The InChIKey is FMGUDLFNCJCJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-23-16-7-5-6-14(12-16)19-10-11-20-17-13-15(21-2)8-9-18(17)22-3/h5-9,12-13,19-20H,4,10-11H2,1-3H3.
What are the key properties of N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine?
N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine has a molecular weight of 316.40 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54807830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).