N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine

C17H22N2O — CID 63155416

IUPACN-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1cccc(OCC)c1
InChIInChI=1S/C17H22N2O/c1-4-18-17(15-10-9-13(3)19-12-15)14-7-6-8-16(11-14)20-5-2/h6-12,17-18H,4-5H2,1-3H3
InChIKeyKYODRNLMIAYSCF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds6

About N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine

N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 63155416) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID63155416
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1cccc(OCC)c1
InChIInChI=1S/C17H22N2O/c1-4-18-17(15-10-9-13(3)19-12-15)14-7-6-8-16(11-14)20-5-2/h6-12,17-18H,4-5H2,1-3H3
InChIKeyKYODRNLMIAYSCF-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854960
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156095
N-[(6-methyl-3-pyridinyl)-naphthalen-2-ylmethyl]ethanamine
CID 63155569
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105022297
1-(3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 63156049
N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854598
N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155426
N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107985285
N-[(4-ethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55165244
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118897

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine (CID 63155416) is N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)nc1)c1cccc(OCC)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is KYODRNLMIAYSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-18-17(15-10-9-13(3)19-12-15)14-7-6-8-16(11-14)20-5-2/h6-12,17-18H,4-5H2,1-3H3.
What are the key properties of N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 63155416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).