N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine

C13H13NO2 — CID 115881537

IUPACN-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
SMILESc1cc(CNc2ccc3c(c2)COC3)co1
InChIInChI=1S/C13H13NO2/c1-2-13(5-12-9-16-8-11(1)12)14-6-10-3-4-15-7-10/h1-5,7,14H,6,8-9H2
InChIKeyJRUNDZRZLMAGQO-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.92
Rot. Bonds3

About N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine

N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine (PubChem CID 115881537) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
PubChem CID115881537
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
SMILESc1cc(CNc2ccc3c(c2)COC3)co1
InChIInChI=1S/C13H13NO2/c1-2-13(5-12-9-16-8-11(1)12)14-6-10-3-4-15-7-10/h1-5,7,14H,6,8-9H2
InChIKeyJRUNDZRZLMAGQO-UHFFFAOYSA-N
XLogP2.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 115881527
N-(furan-3-ylmethyl)-3,4-dimethylaniline
CID 63204332
4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline
CID 63204789
6-bromo-N-(furan-3-ylmethyl)naphthalen-2-amine
CID 81260316
4-bromo-3-fluoro-N-(furan-3-ylmethyl)aniline
CID 65435326
4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride
CID 22486431
[5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol
CID 113345604
N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 113345249
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105029864
2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63204464
3-chloro-N-(furan-3-ylmethyl)-4-methoxyaniline
CID 63203405
3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline
CID 115744212

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine?
The IUPAC name of N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine (CID 115881537) is N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine is c1cc(CNc2ccc3c(c2)COC3)co1.
What is the InChIKey of N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine?
The InChIKey is JRUNDZRZLMAGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-13(5-12-9-16-8-11(1)12)14-6-10-3-4-15-7-10/h1-5,7,14H,6,8-9H2.
What are the key properties of N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine?
N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine has a molecular weight of 215.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine is sourced from PubChem (CID 115881537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).