2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol

C18H24N2O2 — CID 135971367

IUPAC2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCCCCN(C)Cc1cc(-c2cccc(OC)n2)ccc1O
InChIInChI=1S/C18H24N2O2/c1-4-5-11-20(2)13-15-12-14(9-10-17(15)21)16-7-6-8-18(19-16)22-3/h6-10,12,21H,4-5,11,13H2,1-3H3
InChIKeyBGARDPDMMATAOM-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.69
Rot. Bonds7

About 2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol

2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol (PubChem CID 135971367) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol.

Molecular Properties

Compound Name2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
PubChem CID135971367
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCCCCN(C)Cc1cc(-c2cccc(OC)n2)ccc1O
InChIInChI=1S/C18H24N2O2/c1-4-5-11-20(2)13-15-12-14(9-10-17(15)21)16-7-6-8-18(19-16)22-3/h6-10,12,21H,4-5,11,13H2,1-3H3
InChIKeyBGARDPDMMATAOM-UHFFFAOYSA-N
XLogP3.69
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The IUPAC name of 2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol (CID 135971367) is 2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol.
What is the SMILES notation for 2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The canonical SMILES for 2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol is CCCCN(C)Cc1cc(-c2cccc(OC)n2)ccc1O.
What is the InChIKey of 2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The InChIKey is BGARDPDMMATAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-5-11-20(2)13-15-12-14(9-10-17(15)21)16-7-6-8-18(19-16)22-3/h6-10,12,21H,4-5,11,13H2,1-3H3.
What are the key properties of 2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol has a molecular weight of 300.40 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol is sourced from PubChem (CID 135971367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).