2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol

C14H14Cl2N2O — CID 114698958

IUPAC2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
SMILESCc1cnccc1CNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H14Cl2N2O/c1-9-6-17-3-2-10(9)7-18-8-11-4-12(15)5-13(16)14(11)19/h2-6,18-19H,7-8H2,1H3
InChIKeyXHHUKVMGEQGGHG-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.69
Rot. Bonds4

About 2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol

2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol (PubChem CID 114698958) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
PubChem CID114698958
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
SMILESCc1cnccc1CNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H14Cl2N2O/c1-9-6-17-3-2-10(9)7-18-8-11-4-12(15)5-13(16)14(11)19/h2-6,18-19H,7-8H2,1H3
InChIKeyXHHUKVMGEQGGHG-UHFFFAOYSA-N
XLogP3.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698965
2,4-dichloro-6-[[(3-methylthiophen-2-yl)methylamino]methyl]phenol
CID 78916524
2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 43678664
2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28664013
2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202255
1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698678
4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698554
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905
2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698563
2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol
CID 107588088
(E)-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]but-2-en-1-amine
CID 114699496
2,4-dichloro-6-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol
CID 104694501

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol (CID 114698958) is 2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol is Cc1cnccc1CNCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol?
The InChIKey is XHHUKVMGEQGGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-9-6-17-3-2-10(9)7-18-8-11-4-12(15)5-13(16)14(11)19/h2-6,18-19H,7-8H2,1H3.
What are the key properties of 2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol?
2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol has a molecular weight of 297.19 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol is sourced from PubChem (CID 114698958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).