N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine

C18H25N3O — CID 120912540

IUPACN'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCCOc1cccc(CN(CCN)CCc2ccccc2)n1
InChIInChI=1S/C18H25N3O/c1-2-22-18-10-6-9-17(20-18)15-21(14-12-19)13-11-16-7-4-3-5-8-16/h3-10H,2,11-15,19H2,1H3
InChIKeyFBZRBHQEPALNJE-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.48
Rot. Bonds9

About N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine

N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 120912540) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID120912540
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCCOc1cccc(CN(CCN)CCc2ccccc2)n1
InChIInChI=1S/C18H25N3O/c1-2-22-18-10-6-9-17(20-18)15-21(14-12-19)13-11-16-7-4-3-5-8-16/h3-10H,2,11-15,19H2,1H3
InChIKeyFBZRBHQEPALNJE-UHFFFAOYSA-N
XLogP2.48
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120872561
N'-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912627
N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872144
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
2-ethoxy-6-ethylpyridine
CID 58662042
N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 120871869
N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872049
N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 106511380
N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 120912617
N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871608
N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912923
N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859057

Frequently Asked Questions

What is the IUPAC name of N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (CID 120912540) is N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is CCOc1cccc(CN(CCN)CCc2ccccc2)n1.
What is the InChIKey of N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is FBZRBHQEPALNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-22-18-10-6-9-17(20-18)15-21(14-12-19)13-11-16-7-4-3-5-8-16/h3-10H,2,11-15,19H2,1H3.
What are the key properties of N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 299.42 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 120912540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).