2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine

C16H21N3O — CID 82741640

IUPAC2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
SMILESCCOc1cc(NCc2ncccc2CC)ccc1N
InChIInChI=1S/C16H21N3O/c1-3-12-6-5-9-18-15(12)11-19-13-7-8-14(17)16(10-13)20-4-2/h5-10,19H,3-4,11,17H2,1-2H3
InChIKeyCMDWVSICFAQWEP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.24
Rot. Bonds6

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

2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine (PubChem CID 82741640) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
PubChem CID82741640
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
SMILESCCOc1cc(NCc2ncccc2CC)ccc1N
InChIInChI=1S/C16H21N3O/c1-3-12-6-5-9-18-15(12)11-19-13-7-8-14(17)16(10-13)20-4-2/h5-10,19H,3-4,11,17H2,1-2H3
InChIKeyCMDWVSICFAQWEP-UHFFFAOYSA-N
XLogP3.24
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[(3-methyl-2-pyridinyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63675740
2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine
CID 55232938
1-N-[(3-ethyl-2-pyridinyl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749506
N-[(3-ethyl-2-pyridinyl)methyl]-2-methylpyridin-4-amine
CID 113482648
2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 106890669
2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63678191
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206
4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 82740922
2-ethoxy-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63675675
N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfonylaniline
CID 82739933
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine
CID 81170745

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine (CID 82741640) is 2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine is CCOc1cc(NCc2ncccc2CC)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The InChIKey is CMDWVSICFAQWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-12-6-5-9-18-15(12)11-19-13-7-8-14(17)16(10-13)20-4-2/h5-10,19H,3-4,11,17H2,1-2H3.
What are the key properties of 2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine?
2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine has a molecular weight of 271.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 82741640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).