3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol

C16H21N3O — CID 107733645

IUPAC3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol
SMILESCCN(c1cc(O)ccc1C)c1nc(C)ccc1CN
InChIInChI=1S/C16H21N3O/c1-4-19(15-9-14(20)8-5-11(15)2)16-13(10-17)7-6-12(3)18-16/h5-9,20H,4,10,17H2,1-3H3
InChIKeyIVAGBUHUUVHAIN-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.02
Rot. Bonds4

About 3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol

3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol (PubChem CID 107733645) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol.

Molecular Properties

Compound Name3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol
PubChem CID107733645
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol
SMILESCCN(c1cc(O)ccc1C)c1nc(C)ccc1CN
InChIInChI=1S/C16H21N3O/c1-4-19(15-9-14(20)8-5-11(15)2)16-13(10-17)7-6-12(3)18-16/h5-9,20H,4,10,17H2,1-3H3
InChIKeyIVAGBUHUUVHAIN-UHFFFAOYSA-N
XLogP3.02
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol?
The IUPAC name of 3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol (CID 107733645) is 3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol.
What is the SMILES notation for 3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol?
The canonical SMILES for 3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol is CCN(c1cc(O)ccc1C)c1nc(C)ccc1CN.
What is the InChIKey of 3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol?
The InChIKey is IVAGBUHUUVHAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-19(15-9-14(20)8-5-11(15)2)16-13(10-17)7-6-12(3)18-16/h5-9,20H,4,10,17H2,1-3H3.
What are the key properties of 3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol?
3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol has a molecular weight of 271.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol is sourced from PubChem (CID 107733645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).