4-amino-2-(2-methylphenyl)-1H-indol-7-ol

C15H14N2O — CID 82388778

IUPAC4-amino-2-(2-methylphenyl)-1H-indol-7-ol
SMILESCc1ccccc1-c1cc2c(N)ccc(O)c2[nH]1
InChIInChI=1S/C15H14N2O/c1-9-4-2-3-5-10(9)13-8-11-12(16)6-7-14(18)15(11)17-13/h2-8,17-18H,16H2,1H3
InChIKeyAGNAQCPMCXYOQC-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.43
Rot. Bonds1

About 4-amino-2-(2-methylphenyl)-1H-indol-7-ol

4-amino-2-(2-methylphenyl)-1H-indol-7-ol (PubChem CID 82388778) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-2-(2-methylphenyl)-1H-indol-7-ol.

Molecular Properties

Compound Name4-amino-2-(2-methylphenyl)-1H-indol-7-ol
PubChem CID82388778
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-amino-2-(2-methylphenyl)-1H-indol-7-ol
SMILESCc1ccccc1-c1cc2c(N)ccc(O)c2[nH]1
InChIInChI=1S/C15H14N2O/c1-9-4-2-3-5-10(9)13-8-11-12(16)6-7-14(18)15(11)17-13/h2-8,17-18H,16H2,1H3
InChIKeyAGNAQCPMCXYOQC-UHFFFAOYSA-N
XLogP3.43
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2,3-dimethyl-6-(2-methylphenyl)aniline
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3,5-dimethyl-4-(2-methylphenyl)phenol
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3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol
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2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one
CID 142475488
4-amino-2-phenyl-1H-indole-7-carboxylic acid
CID 82382329
4-amino-3-methyl-1H-indol-7-ol
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CID 145258701

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methylphenyl)-1H-indol-7-ol?
The IUPAC name of 4-amino-2-(2-methylphenyl)-1H-indol-7-ol (CID 82388778) is 4-amino-2-(2-methylphenyl)-1H-indol-7-ol.
What is the SMILES notation for 4-amino-2-(2-methylphenyl)-1H-indol-7-ol?
The canonical SMILES for 4-amino-2-(2-methylphenyl)-1H-indol-7-ol is Cc1ccccc1-c1cc2c(N)ccc(O)c2[nH]1.
What is the InChIKey of 4-amino-2-(2-methylphenyl)-1H-indol-7-ol?
The InChIKey is AGNAQCPMCXYOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-9-4-2-3-5-10(9)13-8-11-12(16)6-7-14(18)15(11)17-13/h2-8,17-18H,16H2,1H3.
What are the key properties of 4-amino-2-(2-methylphenyl)-1H-indol-7-ol?
4-amino-2-(2-methylphenyl)-1H-indol-7-ol has a molecular weight of 238.29 g/mol, XLogP of 3.43, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methylphenyl)-1H-indol-7-ol is sourced from PubChem (CID 82388778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).