5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine

C16H21N3O — CID 80725896

IUPAC5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(C)CCc2ccccn2)c1
InChIInChI=1S/C16H21N3O/c1-3-20-16-11-13(17)10-15(12-16)19(2)9-7-14-6-4-5-8-18-14/h4-6,8,10-12H,3,7,9,17H2,1-2H3
InChIKeyQFDQYVZCRZVVQX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.74
Rot. Bonds6

About 5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine

5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine (PubChem CID 80725896) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
PubChem CID80725896
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(C)CCc2ccccn2)c1
InChIInChI=1S/C16H21N3O/c1-3-20-16-11-13(17)10-15(12-16)19(2)9-7-14-6-4-5-8-18-14/h4-6,8,10-12H,3,7,9,17H2,1-2H3
InChIKeyQFDQYVZCRZVVQX-UHFFFAOYSA-N
XLogP2.74
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80725603
5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
CID 80722151
4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 63671602
5-ethoxy-3-N-methyl-3-N-(2-propan-2-yloxyethyl)benzene-1,3-diamine
CID 81059783
2-N-methyl-2-N-(2-pyridin-2-ylethyl)quinoline-2,6-diamine
CID 43450816
4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784582
2-iodo-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 66094959
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784236
2-amino-5-[methyl(2-pyridin-2-ylethyl)amino]benzamide
CID 61306751
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 104500194
5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
CID 80730242

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine (CID 80725896) is 5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine is CCOc1cc(N)cc(N(C)CCc2ccccn2)c1.
What is the InChIKey of 5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine?
The InChIKey is QFDQYVZCRZVVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-20-16-11-13(17)10-15(12-16)19(2)9-7-14-6-4-5-8-18-14/h4-6,8,10-12H,3,7,9,17H2,1-2H3.
What are the key properties of 5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine?
5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine has a molecular weight of 271.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 80725896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).