2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol

C15H12Cl2N2O — CID 107679377

IUPAC2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol
SMILESOc1c(Cl)cc(NCc2cccc3[nH]ccc23)cc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-12-6-10(7-13(17)15(12)20)19-8-9-2-1-3-14-11(9)4-5-18-14/h1-7,18-20H,8H2
InChIKeyOTYVVYDLUKFUED-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.79
Rot. Bonds3

About 2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol

2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol (PubChem CID 107679377) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol
PubChem CID107679377
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol
SMILESOc1c(Cl)cc(NCc2cccc3[nH]ccc23)cc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-12-6-10(7-13(17)15(12)20)19-8-9-2-1-3-14-11(9)4-5-18-14/h1-7,18-20H,8H2
InChIKeyOTYVVYDLUKFUED-UHFFFAOYSA-N
XLogP4.79
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-chloro-N-(1H-indol-4-ylmethyl)aniline
CID 107618761
2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
CID 167760392
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
1H-indol-4-ol
CID 102220556
2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol
CID 110924581
2-[(3,5-dichloro-4-hydroxyanilino)methyl]benzonitrile
CID 107936058
N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine
CID 62999793
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide
CID 143999736
N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide
CID 107679126
2-[(3,4-dichloroanilino)methyl]phenol
CID 5078127
4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol
CID 107678962

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol?
The IUPAC name of 2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol (CID 107679377) is 2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol.
What is the SMILES notation for 2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol?
The canonical SMILES for 2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol is Oc1c(Cl)cc(NCc2cccc3[nH]ccc23)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol?
The InChIKey is OTYVVYDLUKFUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-12-6-10(7-13(17)15(12)20)19-8-9-2-1-3-14-11(9)4-5-18-14/h1-7,18-20H,8H2.
What are the key properties of 2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol?
2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol has a molecular weight of 307.18 g/mol, XLogP of 4.79, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol is sourced from PubChem (CID 107679377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).