5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine

C13H13NO — CID 138982305

IUPAC5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine
SMILESCc1c(N)c2c(c3ccccc13)OCC2
InChIInChI=1S/C13H13NO/c1-8-9-4-2-3-5-10(9)13-11(12(8)14)6-7-15-13/h2-5H,6-7,14H2,1H3
InChIKeyYZZTWHZNXSJSJY-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.67
Rot. Bonds

About 5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine

5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine (PubChem CID 138982305) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine.

Molecular Properties

Compound Name5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine
PubChem CID138982305
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine
SMILESCc1c(N)c2c(c3ccccc13)OCC2
InChIInChI=1S/C13H13NO/c1-8-9-4-2-3-5-10(9)13-11(12(8)14)6-7-15-13/h2-5H,6-7,14H2,1H3
InChIKeyYZZTWHZNXSJSJY-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-2-naphthylamine
CID 151041
3-(4-Isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-amine
CID 10519978
5-Amino-2,2,4,6,7-pentamethyl-3-phenyl-2,3-dihydrobenzofuran
CID 10540798
2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10567186
2,2,4,6,7-pentamethyl-3-(4-pentylphenyl)-3H-1-benzofuran-5-amine
CID 10569970
2,2,4,6,7-Pentamethyl-3-(4-methylphenyl)-2,3-dihydro-1-benzofuran-5-amine
CID 10685309
2,2,4,6,7-pentamethyl-3-(4-propylphenyl)-3H-1-benzofuran-5-amine
CID 10687400
3-(4-Fluorophenyl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-amine
CID 10828013
2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine
CID 10852533
3-Methoxynaphthalen-1-amine
CID 15868948
7-Methoxy-1-methylnaphthalen-2-amine
CID 115057570
3-(2-Fluoroethoxy)naphthalen-1-amine
CID 87088511

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine?
The IUPAC name of 5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine (CID 138982305) is 5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine.
What is the SMILES notation for 5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine?
The canonical SMILES for 5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine is Cc1c(N)c2c(c3ccccc13)OCC2.
What is the InChIKey of 5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine?
The InChIKey is YZZTWHZNXSJSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-8-9-4-2-3-5-10(9)13-11(12(8)14)6-7-15-13/h2-5H,6-7,14H2,1H3.
What are the key properties of 5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine?
5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine has a molecular weight of 199.25 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydrobenzo[g][1]benzofuran-4-amine is sourced from PubChem (CID 138982305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).