(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine

C16H20N2O — CID 105026374

IUPAC(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
SMILESCCOc1cncc(C(N)c2cc(C)ccc2C)c1
InChIInChI=1S/C16H20N2O/c1-4-19-14-8-13(9-18-10-14)16(17)15-7-11(2)5-6-12(15)3/h5-10,16H,4,17H2,1-3H3
InChIKeyVEDBVPNZVSCDNT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.15
Rot. Bonds4

About (2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine

(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine (PubChem CID 105026374) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
PubChem CID105026374
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
SMILESCCOc1cncc(C(N)c2cc(C)ccc2C)c1
InChIInChI=1S/C16H20N2O/c1-4-19-14-8-13(9-18-10-14)16(17)15-7-11(2)5-6-12(15)3/h5-10,16H,4,17H2,1-3H3
InChIKeyVEDBVPNZVSCDNT-UHFFFAOYSA-N
XLogP3.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025888
(2-bromo-3-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107985314
(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026543
[(2,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330089
(5-ethoxy-3-pyridinyl)-(2-fluoro-5-methylphenyl)methanol
CID 115828977
(5-ethoxy-3-pyridinyl)-(2-ethylfuran-3-yl)methanamine
CID 114104489
[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105330014
(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027342
(2-bromo-3,4-difluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107538741
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593
N-[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026416
[(5-ethoxy-3-pyridinyl)-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105211593

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine?
The IUPAC name of (2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine (CID 105026374) is (2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine?
The canonical SMILES for (2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine is CCOc1cncc(C(N)c2cc(C)ccc2C)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine?
The InChIKey is VEDBVPNZVSCDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-19-14-8-13(9-18-10-14)16(17)15-7-11(2)5-6-12(15)3/h5-10,16H,4,17H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine?
(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine has a molecular weight of 256.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105026374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).