2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine

C19H26N2 — CID 63155930

IUPAC2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(NC)c1ccc(C)nc1
InChIInChI=1S/C19H26N2/c1-5-19(6-2,17-10-8-7-9-11-17)18(20-4)16-13-12-15(3)21-14-16/h7-14,18,20H,5-6H2,1-4H3
InChIKeyURKGKVSQKVULJG-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.41
Rot. Bonds6

About 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine

2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine (PubChem CID 63155930) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine
PubChem CID63155930
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(NC)c1ccc(C)nc1
InChIInChI=1S/C19H26N2/c1-5-19(6-2,17-10-8-7-9-11-17)18(20-4)16-13-12-15(3)21-14-16/h7-14,18,20H,5-6H2,1-4H3
InChIKeyURKGKVSQKVULJG-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine (CID 63155930) is 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine is CCC(CC)(c1ccccc1)C(NC)c1ccc(C)nc1.
What is the InChIKey of 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine?
The InChIKey is URKGKVSQKVULJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-19(6-2,17-10-8-7-9-11-17)18(20-4)16-13-12-15(3)21-14-16/h7-14,18,20H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine?
2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 63155930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).