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

C14H13Cl2NO2 — CID 126119272

IUPAC2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol
SMILESCOc1ccc(NCc2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2NO2/c1-19-11-4-2-10(3-5-11)17-8-9-6-12(15)14(18)13(16)7-9/h2-7,17-18H,8H2,1H3
InChIKeyCXNSIHANOGEZSY-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.32
Rot. Bonds4

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

2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol (PubChem CID 126119272) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol
PubChem CID126119272
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol
SMILESCOc1ccc(NCc2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2NO2/c1-19-11-4-2-10(3-5-11)17-8-9-6-12(15)14(18)13(16)7-9/h2-7,17-18H,8H2,1H3
InChIKeyCXNSIHANOGEZSY-UHFFFAOYSA-N
XLogP4.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-ethoxy-4-[(4-ethoxyanilino)methyl]phenol
CID 83455060
2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol
CID 107678999
2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol
CID 83454430
N-[(2-chloropyrimidin-5-yl)methyl]-4-methoxyaniline
CID 167053365
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 142720853
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121410
N-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-4-methoxyaniline
CID 126127925
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethoxyphenol
CID 107678634
N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline;hydrochloride
CID 163326279
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650
N-[(4-chloro-3-nitrophenyl)methyl]-4-methoxyaniline
CID 71710682

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol?
The IUPAC name of 2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol (CID 126119272) is 2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol?
The canonical SMILES for 2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol is COc1ccc(NCc2cc(Cl)c(O)c(Cl)c2)cc1.
What is the InChIKey of 2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol?
The InChIKey is CXNSIHANOGEZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-19-11-4-2-10(3-5-11)17-8-9-6-12(15)14(18)13(16)7-9/h2-7,17-18H,8H2,1H3.
What are the key properties of 2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol?
2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol has a molecular weight of 298.17 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol is sourced from PubChem (CID 126119272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).