N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine

C17H22N2 — CID 55221471

IUPACN-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1cccc(C)n1
InChIInChI=1S/C17H22N2/c1-4-14-9-11-15(12-10-14)17(18-5-2)16-8-6-7-13(3)19-16/h6-12,17-18H,4-5H2,1-3H3
InChIKeyZGYUVBSCUAPCCM-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.65
Rot. Bonds5

About N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine

N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 55221471) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID55221471
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1cccc(C)n1
InChIInChI=1S/C17H22N2/c1-4-14-9-11-15(12-10-14)17(18-5-2)16-8-6-7-13(3)19-16/h6-12,17-18H,4-5H2,1-3H3
InChIKeyZGYUVBSCUAPCCM-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine (CID 55221471) is N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine is CCNC(c1ccc(CC)cc1)c1cccc(C)n1.
What is the InChIKey of N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is ZGYUVBSCUAPCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-14-9-11-15(12-10-14)17(18-5-2)16-8-6-7-13(3)19-16/h6-12,17-18H,4-5H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine?
N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 55221471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).