2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol

C14H19Cl2NO2 — CID 103743527

IUPAC2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
SMILESCC1(CNCc2cc(Cl)cc(Cl)c2O)CCOCC1
InChIInChI=1S/C14H19Cl2NO2/c1-14(2-4-19-5-3-14)9-17-8-10-6-11(15)7-12(16)13(10)18/h6-7,17-18H,2-5,8-9H2,1H3
InChIKeyJMFSCAYOGXMSQD-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.61
Rot. Bonds4

About 2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol

2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol (PubChem CID 103743527) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
PubChem CID103743527
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
SMILESCC1(CNCc2cc(Cl)cc(Cl)c2O)CCOCC1
InChIInChI=1S/C14H19Cl2NO2/c1-14(2-4-19-5-3-14)9-17-8-10-6-11(15)7-12(16)13(10)18/h6-7,17-18H,2-5,8-9H2,1H3
InChIKeyJMFSCAYOGXMSQD-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.61
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

1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743685
2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115635121
4-[[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 104646264
2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
CID 29030381
2,4-dichloro-6-[(oxan-4-ylamino)methyl]phenol
CID 43609941
1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 113253102
2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol
CID 63934128
3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
CID 103743628
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 113381750
acetic acid;2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 70616535
2,4-dichloro-6-[[(3-methylthiophen-2-yl)methylamino]methyl]phenol
CID 78916524
1-(2-bromo-4-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103845158

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol (CID 103743527) is 2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol is CC1(CNCc2cc(Cl)cc(Cl)c2O)CCOCC1.
What is the InChIKey of 2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol?
The InChIKey is JMFSCAYOGXMSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-14(2-4-19-5-3-14)9-17-8-10-6-11(15)7-12(16)13(10)18/h6-7,17-18H,2-5,8-9H2,1H3.
What are the key properties of 2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol?
2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol has a molecular weight of 304.22 g/mol, XLogP of 3.61, 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-[[(4-methyloxan-4-yl)methylamino]methyl]phenol is sourced from PubChem (CID 103743527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).