5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine

C18H24N2O — CID 80725020

IUPAC5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(CC)Cc2ccccc2C)c1
InChIInChI=1S/C18H24N2O/c1-4-20(13-15-9-7-6-8-14(15)3)17-10-16(19)11-18(12-17)21-5-2/h6-12H,4-5,13,19H2,1-3H3
InChIKeyMYTUGMCJIVLKSB-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.00
Rot. Bonds6

About 5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine

5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine (PubChem CID 80725020) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
PubChem CID80725020
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(CC)Cc2ccccc2C)c1
InChIInChI=1S/C18H24N2O/c1-4-20(13-15-9-7-6-8-14(15)3)17-10-16(19)11-18(12-17)21-5-2/h6-12H,4-5,13,19H2,1-3H3
InChIKeyMYTUGMCJIVLKSB-UHFFFAOYSA-N
XLogP4.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine (CID 80725020) is 5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine is CCOc1cc(N)cc(N(CC)Cc2ccccc2C)c1.
What is the InChIKey of 5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine?
The InChIKey is MYTUGMCJIVLKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-20(13-15-9-7-6-8-14(15)3)17-10-16(19)11-18(12-17)21-5-2/h6-12H,4-5,13,19H2,1-3H3.
What are the key properties of 5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine?
5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine has a molecular weight of 284.40 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 80725020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).