3-[amino(1-benzofuran-3-yl)methyl]aniline

C15H14N2O — CID 116936632

IUPAC3-[amino(1-benzofuran-3-yl)methyl]aniline
SMILESNc1cccc(C(N)c2coc3ccccc23)c1
InChIInChI=1S/C15H14N2O/c16-11-5-3-4-10(8-11)15(17)13-9-18-14-7-2-1-6-12(13)14/h1-9,15H,16-17H2
InChIKeyAOSJTSBQDZFSCJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.06
Rot. Bonds2

About 3-[amino(1-benzofuran-3-yl)methyl]aniline

3-[amino(1-benzofuran-3-yl)methyl]aniline (PubChem CID 116936632) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[amino(1-benzofuran-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-[amino(1-benzofuran-3-yl)methyl]aniline
PubChem CID116936632
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-[amino(1-benzofuran-3-yl)methyl]aniline
SMILESNc1cccc(C(N)c2coc3ccccc23)c1
InChIInChI=1S/C15H14N2O/c16-11-5-3-4-10(8-11)15(17)13-9-18-14-7-2-1-6-12(13)14/h1-9,15H,16-17H2
InChIKeyAOSJTSBQDZFSCJ-UHFFFAOYSA-N
XLogP3.06
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114730676
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
3-benzhydryl-1-benzofuran
CID 53493031
5-[amino-(3-aminophenyl)methyl]benzene-1,3-diamine
CID 67060857
1-benzofuran-3-yl(methoxy)methanamine
CID 116947357
3-[amino-(5-chloro-2-fluorophenyl)methyl]aniline
CID 116936598
3-[amino-(2,4-difluorophenyl)methyl]aniline
CID 116936583
3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine
CID 117040946
3-[1-benzofuran-3-yl(difluoro)methyl]aniline
CID 116840032
(1S)-1-(1-benzofuran-3-yl)pentan-1-amine
CID 165356907
1-benzofuran-3-amine
CID 18373424
1-amino-1-(1-benzofuran-3-yl)propan-2-one
CID 55273195

Frequently Asked Questions

What is the IUPAC name of 3-[amino(1-benzofuran-3-yl)methyl]aniline?
The IUPAC name of 3-[amino(1-benzofuran-3-yl)methyl]aniline (CID 116936632) is 3-[amino(1-benzofuran-3-yl)methyl]aniline.
What is the SMILES notation for 3-[amino(1-benzofuran-3-yl)methyl]aniline?
The canonical SMILES for 3-[amino(1-benzofuran-3-yl)methyl]aniline is Nc1cccc(C(N)c2coc3ccccc23)c1.
What is the InChIKey of 3-[amino(1-benzofuran-3-yl)methyl]aniline?
The InChIKey is AOSJTSBQDZFSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-11-5-3-4-10(8-11)15(17)13-9-18-14-7-2-1-6-12(13)14/h1-9,15H,16-17H2.
What are the key properties of 3-[amino(1-benzofuran-3-yl)methyl]aniline?
3-[amino(1-benzofuran-3-yl)methyl]aniline has a molecular weight of 238.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(1-benzofuran-3-yl)methyl]aniline is sourced from PubChem (CID 116936632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).