2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol

C11H15Cl2NO2 — CID 82709104

IUPAC2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol
SMILESCC(C)CONCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H15Cl2NO2/c1-7(2)6-16-14-5-8-3-9(12)4-10(13)11(8)15/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyLDWJOJAKPGADBT-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.38
Rot. Bonds5

About 2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol

2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol (PubChem CID 82709104) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol
PubChem CID82709104
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol
SMILESCC(C)CONCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H15Cl2NO2/c1-7(2)6-16-14-5-8-3-9(12)4-10(13)11(8)15/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyLDWJOJAKPGADBT-UHFFFAOYSA-N
XLogP3.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[(ethoxyamino)methyl]phenol
CID 82710474
methyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanoate
CID 60780743
2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
CID 62693693
2-[(but-3-en-2-ylamino)methyl]-4,6-dichlorophenol
CID 115691167
2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol
CID 115655729
2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115635121
2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
CID 104588001
2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367252
2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
CID 62416291
2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol
CID 82986125
2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 43207158
2,4-dichloro-6-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol
CID 103854969

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol (CID 82709104) is 2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol is CC(C)CONCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol?
The InChIKey is LDWJOJAKPGADBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-7(2)6-16-14-5-8-3-9(12)4-10(13)11(8)15/h3-4,7,14-15H,5-6H2,1-2H3.
What are the key properties of 2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol?
2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol has a molecular weight of 264.15 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol is sourced from PubChem (CID 82709104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).