1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

C17H23N3O — CID 43564017

IUPAC1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCOc1ccccc1C(CN)N(C)Cc1ccncc1
InChIInChI=1S/C17H23N3O/c1-3-21-17-7-5-4-6-15(17)16(12-18)20(2)13-14-8-10-19-11-9-14/h4-11,16H,3,12-13,18H2,1-2H3
InChIKeyZLEUOLSQHKOEEM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.61
Rot. Bonds7

About 1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 43564017) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID43564017
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCOc1ccccc1C(CN)N(C)Cc1ccncc1
InChIInChI=1S/C17H23N3O/c1-3-21-17-7-5-4-6-15(17)16(12-18)20(2)13-14-8-10-19-11-9-14/h4-11,16H,3,12-13,18H2,1-2H3
InChIKeyZLEUOLSQHKOEEM-UHFFFAOYSA-N
XLogP2.61
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 63013919
1-(3-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60871994
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
1-(2-ethoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570790
1-(2-ethoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43569806
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
1-(furan-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 63208399
1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60790409
N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104822149
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 103569459
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987
1-(2-ethoxyphenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43180434

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 43564017) is 1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is CCOc1ccccc1C(CN)N(C)Cc1ccncc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is ZLEUOLSQHKOEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-21-17-7-5-4-6-15(17)16(12-18)20(2)13-14-8-10-19-11-9-14/h4-11,16H,3,12-13,18H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43564017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).