N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine

C14H15NO2 — CID 115653449

IUPACN-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1ccoc1CNC1COc2ccccc21
InChIInChI=1S/C14H15NO2/c1-10-6-7-16-14(10)8-15-12-9-17-13-5-3-2-4-11(12)13/h2-7,12,15H,8-9H2,1H3
InChIKeyFREXMINXQXWSBN-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.81
Rot. Bonds3

About N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine

N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 115653449) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID115653449
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1ccoc1CNC1COc2ccccc21
InChIInChI=1S/C14H15NO2/c1-10-6-7-16-14(10)8-15-12-9-17-13-5-3-2-4-11(12)13/h2-7,12,15H,8-9H2,1H3
InChIKeyFREXMINXQXWSBN-UHFFFAOYSA-N
XLogP2.81
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378721
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 79883117
N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378811
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 82893450
N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine
CID 114472320
N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 66445596
N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 80694200
3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one
CID 130637972
N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide
CID 63378630
N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378996
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 63378858
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63379077

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine (CID 115653449) is N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine is Cc1ccoc1CNC1COc2ccccc21.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is FREXMINXQXWSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-6-7-16-14(10)8-15-12-9-17-13-5-3-2-4-11(12)13/h2-7,12,15H,8-9H2,1H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 229.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 115653449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).