3-(1,3-dihydro-2-benzofuran-5-yl)aniline

C14H13NO — CID 63020601

IUPAC3-(1,3-dihydro-2-benzofuran-5-yl)aniline
SMILESNc1cccc(-c2ccc3c(c2)COC3)c1
InChIInChI=1S/C14H13NO/c15-14-3-1-2-10(7-14)11-4-5-12-8-16-9-13(12)6-11/h1-7H,8-9,15H2
InChIKeyJNMBIIYCLXIDHS-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.97
Rot. Bonds1

About 3-(1,3-dihydro-2-benzofuran-5-yl)aniline

3-(1,3-dihydro-2-benzofuran-5-yl)aniline (PubChem CID 63020601) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-5-yl)aniline.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-5-yl)aniline
PubChem CID63020601
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-(1,3-dihydro-2-benzofuran-5-yl)aniline
SMILESNc1cccc(-c2ccc3c(c2)COC3)c1
InChIInChI=1S/C14H13NO/c15-14-3-1-2-10(7-14)11-4-5-12-8-16-9-13(12)6-11/h1-7H,8-9,15H2
InChIKeyJNMBIIYCLXIDHS-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.97
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

3-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 63743862
[3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine
CID 63021121
3-(3-aminophenyl)aniline;sulfane
CID 175159845
3-(2,2-dimethyl-3H-1-benzofuran-5-yl)aniline
CID 62324887
6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine
CID 11368185
5-(1,3-dihydro-2-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 66200815
5-(1,3-dihydro-2-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine
CID 63744526
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine
CID 63744696
4-(1,3-dihydro-2-benzofuran-5-yl)pyridin-3-amine
CID 83167602
3-[4-(aminomethyl)phenyl]aniline
CID 1394417
sodium 4-(3-aminophenyl)phenolate
CID 174384003
3-(2H-pyran-3-yl)aniline
CID 146232612

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)aniline?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)aniline (CID 63020601) is 3-(1,3-dihydro-2-benzofuran-5-yl)aniline.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-5-yl)aniline?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-5-yl)aniline is Nc1cccc(-c2ccc3c(c2)COC3)c1.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-5-yl)aniline?
The InChIKey is JNMBIIYCLXIDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c15-14-3-1-2-10(7-14)11-4-5-12-8-16-9-13(12)6-11/h1-7H,8-9,15H2.
What are the key properties of 3-(1,3-dihydro-2-benzofuran-5-yl)aniline?
3-(1,3-dihydro-2-benzofuran-5-yl)aniline has a molecular weight of 211.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydro-2-benzofuran-5-yl)aniline is sourced from PubChem (CID 63020601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).