N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine

C14H15NO2 — CID 63378721

IUPACN-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1ccc(CNC2COc3ccccc32)o1
InChIInChI=1S/C14H15NO2/c1-10-6-7-11(17-10)8-15-13-9-16-14-5-3-2-4-12(13)14/h2-7,13,15H,8-9H2,1H3
InChIKeyQLELBACZTHJACJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.81
Rot. Bonds3

About N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine

N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63378721) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63378721
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCc1ccc(CNC2COc3ccccc32)o1
InChIInChI=1S/C14H15NO2/c1-10-6-7-11(17-10)8-15-13-9-16-14-5-3-2-4-12(13)14/h2-7,13,15H,8-9H2,1H3
InChIKeyQLELBACZTHJACJ-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-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63379077
N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 115653449
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
(1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463266
6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 47624108
3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one
CID 43823904
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43786832
N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 80694200
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378994
N-[(4-nitrophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378673
N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide
CID 63378630

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine (CID 63378721) is N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine is Cc1ccc(CNC2COc3ccccc32)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is QLELBACZTHJACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-6-7-11(17-10)8-15-13-9-16-14-5-3-2-4-12(13)14/h2-7,13,15H,8-9H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
N-[(5-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-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63378721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).