N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine

C17H22N2O — CID 63841105

IUPACN-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1cc(C)ccn1
InChIInChI=1S/C17H22N2O/c1-4-18-17(16-12-13(3)10-11-19-16)14-6-8-15(9-7-14)20-5-2/h6-12,17-18H,4-5H2,1-3H3
InChIKeyROFHZAAYWGCSJT-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds6

About N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine

N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 63841105) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID63841105
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1cc(C)ccn1
InChIInChI=1S/C17H22N2O/c1-4-18-17(16-12-13(3)10-11-19-16)14-6-8-15(9-7-14)20-5-2/h6-12,17-18H,4-5H2,1-3H3
InChIKeyROFHZAAYWGCSJT-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

Analyze N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840250
N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63841246
N-[(4-ethylphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840683
N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63839602
N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840251
N-[(4-methyl-2-pyridinyl)-quinolin-7-ylmethyl]ethanamine
CID 81228376
[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]hydrazine
CID 105219978
N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63840403
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450
N-[(4-ethoxyphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018505
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388
N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 82870796

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine (CID 63841105) is N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine is CCNC(c1ccc(OCC)cc1)c1cc(C)ccn1.
What is the InChIKey of N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is ROFHZAAYWGCSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-18-17(16-12-13(3)10-11-19-16)14-6-8-15(9-7-14)20-5-2/h6-12,17-18H,4-5H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine?
N-[(4-ethoxyphenyl)-(4-methyl-2-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-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 63841105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).