1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine

C17H15N3O — CID 103128236

IUPAC1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine
SMILESCn1nc(C(N)c2cc3ccccc3o2)c2ccccc21
InChIInChI=1S/C17H15N3O/c1-20-13-8-4-3-7-12(13)17(19-20)16(18)15-10-11-6-2-5-9-14(11)21-15/h2-10,16H,18H2,1H3
InChIKeyQBXKDUVSXWIQQF-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.37
Rot. Bonds2

About 1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine

1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine (PubChem CID 103128236) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine
PubChem CID103128236
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine
SMILESCn1nc(C(N)c2cc3ccccc3o2)c2ccccc21
InChIInChI=1S/C17H15N3O/c1-20-13-8-4-3-7-12(13)17(19-20)16(18)15-10-11-6-2-5-9-14(11)21-15/h2-10,16H,18H2,1H3
InChIKeyQBXKDUVSXWIQQF-UHFFFAOYSA-N
XLogP3.37
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine
CID 114219353
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
(2-chlorophenyl)-(1-methylindazol-3-yl)methanamine
CID 103126271
(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 103128231
3-(difluoromethyl)-1-methylindazole
CID 153487584
(2,3-difluoro-4-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 107516114
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 103127012
(2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 103127986
1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105184781
cyclohepten-1-yl-(1-methylindazol-3-yl)methanamine
CID 106657105
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine (CID 103128236) is 1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine is Cn1nc(C(N)c2cc3ccccc3o2)c2ccccc21.
What is the InChIKey of 1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine?
The InChIKey is QBXKDUVSXWIQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-20-13-8-4-3-7-12(13)17(19-20)16(18)15-10-11-6-2-5-9-14(11)21-15/h2-10,16H,18H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine?
1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine has a molecular weight of 277.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine is sourced from PubChem (CID 103128236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).