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

C17H23N3O — CID 107733638

IUPAC3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol
SMILESCCN(c1cc(O)ccc1C)c1cc(C)nc(C)c1CN
InChIInChI=1S/C17H23N3O/c1-5-20(16-9-14(21)7-6-11(16)2)17-8-12(3)19-13(4)15(17)10-18/h6-9,21H,5,10,18H2,1-4H3
InChIKeyQEMHRCPPXBXBPK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.33
Rot. Bonds4

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

3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol (PubChem CID 107733638) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol.

Molecular Properties

Compound Name3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol
PubChem CID107733638
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol
SMILESCCN(c1cc(O)ccc1C)c1cc(C)nc(C)c1CN
InChIInChI=1S/C17H23N3O/c1-5-20(16-9-14(21)7-6-11(16)2)17-8-12(3)19-13(4)15(17)10-18/h6-9,21H,5,10,18H2,1-4H3
InChIKeyQEMHRCPPXBXBPK-UHFFFAOYSA-N
XLogP3.33
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol?
The IUPAC name of 3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol (CID 107733638) is 3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol.
What is the SMILES notation for 3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol?
The canonical SMILES for 3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol is CCN(c1cc(O)ccc1C)c1cc(C)nc(C)c1CN.
What is the InChIKey of 3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol?
The InChIKey is QEMHRCPPXBXBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-20(16-9-14(21)7-6-11(16)2)17-8-12(3)19-13(4)15(17)10-18/h6-9,21H,5,10,18H2,1-4H3.
What are the key properties of 3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol?
3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol has a molecular weight of 285.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol is sourced from PubChem (CID 107733638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).