3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine

C15H19N3O — CID 104533858

IUPAC3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine
SMILESCCNc1cncc(NCCOc2ccccc2)c1
InChIInChI=1S/C15H19N3O/c1-2-17-13-10-14(12-16-11-13)18-8-9-19-15-6-4-3-5-7-15/h3-7,10-12,17-18H,2,8-9H2,1H3
InChIKeyQHKKYFSTMDGHLV-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.00
Rot. Bonds7

About 3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine

3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine (PubChem CID 104533858) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine
PubChem CID104533858
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine
SMILESCCNc1cncc(NCCOc2ccccc2)c1
InChIInChI=1S/C15H19N3O/c1-2-17-13-10-14(12-16-11-13)18-8-9-19-15-6-4-3-5-7-15/h3-7,10-12,17-18H,2,8-9H2,1H3
InChIKeyQHKKYFSTMDGHLV-UHFFFAOYSA-N
XLogP3.00
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine
CID 104536114
6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80815379
3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine
CID 104533940
5-(3-phenylpropoxy)-N-propylpyridin-3-amine
CID 104536691
3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine
CID 104532448
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
6-N,5-diethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80791055
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
4-bromo-3,5-dimethyl-N-(2-phenoxyethyl)aniline
CID 107573411
N-ethyl-5-octoxypyridin-3-amine
CID 113424296

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine (CID 104533858) is 3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine is CCNc1cncc(NCCOc2ccccc2)c1.
What is the InChIKey of 3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine?
The InChIKey is QHKKYFSTMDGHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-17-13-10-14(12-16-11-13)18-8-9-19-15-6-4-3-5-7-15/h3-7,10-12,17-18H,2,8-9H2,1H3.
What are the key properties of 3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine?
3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine has a molecular weight of 257.34 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine is sourced from PubChem (CID 104533858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).