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

C14H24N2O2 — CID 54808343

IUPACN'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
SMILESCCOc1cccc(NCCNCCCOC)c1
InChIInChI=1S/C14H24N2O2/c1-3-18-14-7-4-6-13(12-14)16-10-9-15-8-5-11-17-2/h4,6-7,12,15-16H,3,5,8-11H2,1-2H3
InChIKeyXJVRZLDMJDZBHU-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.12
Rot. Bonds10

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

N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine (PubChem CID 54808343) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
PubChem CID54808343
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
SMILESCCOc1cccc(NCCNCCCOC)c1
InChIInChI=1S/C14H24N2O2/c1-3-18-14-7-4-6-13(12-14)16-10-9-15-8-5-11-17-2/h4,6-7,12,15-16H,3,5,8-11H2,1-2H3
InChIKeyXJVRZLDMJDZBHU-UHFFFAOYSA-N
XLogP2.12
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
N-heptyl-N'-(3-hexoxyphenyl)ethane-1,2-diamine
CID 54807056
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
3-ethoxy-N-propylaniline
CID 54800867
N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine
CID 54806182
N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807112
N-[3-(3-ethoxyphenoxy)propyl]aniline
CID 62584936
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
N-[2-(3-chlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 60684435
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081
N'-(4-ethoxyphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805879

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine (CID 54808343) is N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine is CCOc1cccc(NCCNCCCOC)c1.
What is the InChIKey of N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The InChIKey is XJVRZLDMJDZBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-18-14-7-4-6-13(12-14)16-10-9-15-8-5-11-17-2/h4,6-7,12,15-16H,3,5,8-11H2,1-2H3.
What are the key properties of N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.12, 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-(3-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 54808343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).