2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol

C15H14Cl3NO2 — CID 103292059

IUPAC2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol
SMILESCOc1cccc(Cl)c1CNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H14Cl3NO2/c1-21-14-4-2-3-12(17)11(14)8-19-7-9-5-10(16)6-13(18)15(9)20/h2-6,19-20H,7-8H2,1H3
InChIKeyHPTUFAVGZMCYPN-UHFFFAOYSA-N
MW346.64 g/mol
LogP4.65
Rot. Bonds5

About 2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol

2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol (PubChem CID 103292059) has the molecular formula C15H14Cl3NO2 and a molecular weight of 346.64 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol
PubChem CID103292059
Molecular FormulaC15H14Cl3NO2
Molecular Weight346.64 g/mol
Exact Mass345.01
IUPAC Name2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol
SMILESCOc1cccc(Cl)c1CNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H14Cl3NO2/c1-21-14-4-2-3-12(17)11(14)8-19-7-9-5-10(16)6-13(18)15(9)20/h2-6,19-20H,7-8H2,1H3
InChIKeyHPTUFAVGZMCYPN-UHFFFAOYSA-N
XLogP4.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.64
LogP ≤ 54.65
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

2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol
CID 103291995
3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 78959797
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28664013
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(4,5-dibromothiophen-2-yl)methanamine
CID 103292056
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 103292073
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine
CID 103291932
2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
CID 103292703
2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol
CID 29274459
1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine
CID 115634848
4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol
CID 104663758

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol (CID 103292059) is 2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol is COc1cccc(Cl)c1CNCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol?
The InChIKey is HPTUFAVGZMCYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO2/c1-21-14-4-2-3-12(17)11(14)8-19-7-9-5-10(16)6-13(18)15(9)20/h2-6,19-20H,7-8H2,1H3.
What are the key properties of 2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol?
2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol has a molecular weight of 346.64 g/mol, XLogP of 4.65, 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-chloro-6-methoxyphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 103292059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).