(3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine

C16H20N2O — CID 82729975

IUPAC(3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
SMILESCCOc1cccc(C(N)c2ncccc2CC)c1
InChIInChI=1S/C16H20N2O/c1-3-12-8-6-10-18-16(12)15(17)13-7-5-9-14(11-13)19-4-2/h5-11,15H,3-4,17H2,1-2H3
InChIKeyBNTBUWYFOWEMOF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.09
Rot. Bonds5

About (3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine

(3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine (PubChem CID 82729975) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
PubChem CID82729975
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
SMILESCCOc1cccc(C(N)c2ncccc2CC)c1
InChIInChI=1S/C16H20N2O/c1-3-12-8-6-10-18-16(12)15(17)13-7-5-9-14(11-13)19-4-2/h5-11,15H,3-4,17H2,1-2H3
InChIKeyBNTBUWYFOWEMOF-UHFFFAOYSA-N
XLogP3.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine?
The IUPAC name of (3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine (CID 82729975) is (3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine.
What is the SMILES notation for (3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine?
The canonical SMILES for (3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine is CCOc1cccc(C(N)c2ncccc2CC)c1.
What is the InChIKey of (3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine?
The InChIKey is BNTBUWYFOWEMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-12-8-6-10-18-16(12)15(17)13-7-5-9-14(11-13)19-4-2/h5-11,15H,3-4,17H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine?
(3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine has a molecular weight of 256.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine is sourced from PubChem (CID 82729975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).