2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine

C15H24N2O2 — CID 63725265

IUPAC2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine
SMILESCCOc1cc(N(C)CC2CCOCC2)ccc1N
InChIInChI=1S/C15H24N2O2/c1-3-19-15-10-13(4-5-14(15)16)17(2)11-12-6-8-18-9-7-12/h4-5,10,12H,3,6-9,11,16H2,1-2H3
InChIKeyNMIJJHDNXUHFDU-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.53
Rot. Bonds5

About 2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine

2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine (PubChem CID 63725265) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine
PubChem CID63725265
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine
SMILESCCOc1cc(N(C)CC2CCOCC2)ccc1N
InChIInChI=1S/C15H24N2O2/c1-3-19-15-10-13(4-5-14(15)16)17(2)11-12-6-8-18-9-7-12/h4-5,10,12H,3,6-9,11,16H2,1-2H3
InChIKeyNMIJJHDNXUHFDU-UHFFFAOYSA-N
XLogP2.53
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine (CID 63725265) is 2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine is CCOc1cc(N(C)CC2CCOCC2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine?
The InChIKey is NMIJJHDNXUHFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-19-15-10-13(4-5-14(15)16)17(2)11-12-6-8-18-9-7-12/h4-5,10,12H,3,6-9,11,16H2,1-2H3.
What are the key properties of 2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine?
2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 63725265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).