2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine

C14H22N2O3 — CID 104759004

IUPAC2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine
SMILESCCOc1cc(NCC2(OC)CCOC2)ccc1N
InChIInChI=1S/C14H22N2O3/c1-3-19-13-8-11(4-5-12(13)15)16-9-14(17-2)6-7-18-10-14/h4-5,8,16H,3,6-7,9-10,15H2,1-2H3
InChIKeyKGKHAAIJCKZKGD-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.88
Rot. Bonds6

About 2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine

2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine (PubChem CID 104759004) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine
PubChem CID104759004
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine
SMILESCCOc1cc(NCC2(OC)CCOC2)ccc1N
InChIInChI=1S/C14H22N2O3/c1-3-19-13-8-11(4-5-12(13)15)16-9-14(17-2)6-7-18-10-14/h4-5,8,16H,3,6-7,9-10,15H2,1-2H3
InChIKeyKGKHAAIJCKZKGD-UHFFFAOYSA-N
XLogP1.88
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine (CID 104759004) is 2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine is CCOc1cc(NCC2(OC)CCOC2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine?
The InChIKey is KGKHAAIJCKZKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-19-13-8-11(4-5-12(13)15)16-9-14(17-2)6-7-18-10-14/h4-5,8,16H,3,6-7,9-10,15H2,1-2H3.
What are the key properties of 2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine?
2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine has a molecular weight of 266.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 104759004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).