2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine

C14H24N2O — CID 63071036

IUPAC2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
SMILESCCOC(CN)CCN(C)c1ccc(C)cc1
InChIInChI=1S/C14H24N2O/c1-4-17-14(11-15)9-10-16(3)13-7-5-12(2)6-8-13/h5-8,14H,4,9-11,15H2,1-3H3
InChIKeyIAKDKYHKWDQHIL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.19
Rot. Bonds7

About 2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine

2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine (PubChem CID 63071036) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
PubChem CID63071036
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
SMILESCCOC(CN)CCN(C)c1ccc(C)cc1
InChIInChI=1S/C14H24N2O/c1-4-17-14(11-15)9-10-16(3)13-7-5-12(2)6-8-13/h5-8,14H,4,9-11,15H2,1-3H3
InChIKeyIAKDKYHKWDQHIL-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine?
The IUPAC name of 2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine (CID 63071036) is 2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine.
What is the SMILES notation for 2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine?
The canonical SMILES for 2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine is CCOC(CN)CCN(C)c1ccc(C)cc1.
What is the InChIKey of 2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine?
The InChIKey is IAKDKYHKWDQHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-17-14(11-15)9-10-16(3)13-7-5-12(2)6-8-13/h5-8,14H,4,9-11,15H2,1-3H3.
What are the key properties of 2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine?
2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine is sourced from PubChem (CID 63071036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).