2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine

C14H24N2O3 — CID 63675678

IUPAC2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine
SMILESCOCCCN(CCOC)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H24N2O3/c1-17-9-4-7-16(8-10-18-2)12-5-6-13(15)14(11-12)19-3/h5-6,11H,4,7-10,15H2,1-3H3
InChIKeyDWCKYRUNVJLAJF-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.77
Rot. Bonds9

About 2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine

2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine (PubChem CID 63675678) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine
PubChem CID63675678
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine
SMILESCOCCCN(CCOC)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H24N2O3/c1-17-9-4-7-16(8-10-18-2)12-5-6-13(15)14(11-12)19-3/h5-6,11H,4,7-10,15H2,1-3H3
InChIKeyDWCKYRUNVJLAJF-UHFFFAOYSA-N
XLogP1.77
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine (CID 63675678) is 2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine is COCCCN(CCOC)c1ccc(N)c(OC)c1.
What is the InChIKey of 2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine?
The InChIKey is DWCKYRUNVJLAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-17-9-4-7-16(8-10-18-2)12-5-6-13(15)14(11-12)19-3/h5-6,11H,4,7-10,15H2,1-3H3.
What are the key properties of 2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine?
2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine has a molecular weight of 268.36 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine is sourced from PubChem (CID 63675678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).