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

C13H18N4O — CID 63678191

IUPAC2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
SMILESCCOc1cc(NCc2nccn2C)ccc1N
InChIInChI=1S/C13H18N4O/c1-3-18-12-8-10(4-5-11(12)14)16-9-13-15-6-7-17(13)2/h4-8,16H,3,9,14H2,1-2H3
InChIKeyBHGDPJWAWIJDIN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.01
Rot. Bonds5

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

2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine (PubChem CID 63678191) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
PubChem CID63678191
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
SMILESCCOc1cc(NCc2nccn2C)ccc1N
InChIInChI=1S/C13H18N4O/c1-3-18-12-8-10(4-5-11(12)14)16-9-13-15-6-7-17(13)2/h4-8,16H,3,9,14H2,1-2H3
InChIKeyBHGDPJWAWIJDIN-UHFFFAOYSA-N
XLogP2.01
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62358267
2-ethoxy-4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882547
3,4-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527460
2-amino-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 80646018
2-ethoxy-4-fluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62356406
2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine
CID 55232938
2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 82741640
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704
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-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine (CID 63678191) is 2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine is CCOc1cc(NCc2nccn2C)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine?
The InChIKey is BHGDPJWAWIJDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-18-12-8-10(4-5-11(12)14)16-9-13-15-6-7-17(13)2/h4-8,16H,3,9,14H2,1-2H3.
What are the key properties of 2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine?
2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 63678191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).