2-[(3,4-dichloroanilino)methyl]phenol

C13H11Cl2NO — CID 5078127

IUPAC2-[(3,4-dichloroanilino)methyl]phenol
SMILESOc1ccccc1CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO/c14-11-6-5-10(7-12(11)15)16-8-9-3-1-2-4-13(9)17/h1-7,16-17H,8H2
InChIKeyOGJVVKPWWOPZIX-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.31
Rot. Bonds3

About 2-[(3,4-dichloroanilino)methyl]phenol

2-[(3,4-dichloroanilino)methyl]phenol (PubChem CID 5078127) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-[(3,4-dichloroanilino)methyl]phenol.

Molecular Properties

Compound Name2-[(3,4-dichloroanilino)methyl]phenol
PubChem CID5078127
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name2-[(3,4-dichloroanilino)methyl]phenol
SMILESOc1ccccc1CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO/c14-11-6-5-10(7-12(11)15)16-8-9-3-1-2-4-13(9)17/h1-7,16-17H,8H2
InChIKeyOGJVVKPWWOPZIX-UHFFFAOYSA-N
XLogP4.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246
2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43672704
4-[[2-(3,4-dichlorophenyl)sulfanylphenyl]methylamino]-2-(hydroxymethyl)phenol
CID 69010914
2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
CID 107678386
2-[[4-(2-chlorophenyl)anilino]methyl]phenol
CID 122182748
5-(benzylamino)-2-chlorophenol
CID 68679266
3,4-dichloro-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline
CID 23996472
2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol
CID 107678736
2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol
CID 107678317
4-[(2-chlorophenyl)methylamino]phenol
CID 18778398
3,4-dichloro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233028

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichloroanilino)methyl]phenol?
The IUPAC name of 2-[(3,4-dichloroanilino)methyl]phenol (CID 5078127) is 2-[(3,4-dichloroanilino)methyl]phenol.
What is the SMILES notation for 2-[(3,4-dichloroanilino)methyl]phenol?
The canonical SMILES for 2-[(3,4-dichloroanilino)methyl]phenol is Oc1ccccc1CNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichloroanilino)methyl]phenol?
The InChIKey is OGJVVKPWWOPZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-11-6-5-10(7-12(11)15)16-8-9-3-1-2-4-13(9)17/h1-7,16-17H,8H2.
What are the key properties of 2-[(3,4-dichloroanilino)methyl]phenol?
2-[(3,4-dichloroanilino)methyl]phenol has a molecular weight of 268.14 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichloroanilino)methyl]phenol is sourced from PubChem (CID 5078127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).