5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine

C12H17NO2 — CID 43511932

IUPAC5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1ccc2c(c1)C(NC(C)C)CO2
InChIInChI=1S/C12H17NO2/c1-8(2)13-11-7-15-12-5-4-9(14-3)6-10(11)12/h4-6,8,11,13H,7H2,1-3H3
InChIKeyYQZVOJIUYPZCRL-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.13
Rot. Bonds3

About 5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine

5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43511932) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43511932
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1ccc2c(c1)C(NC(C)C)CO2
InChIInChI=1S/C12H17NO2/c1-8(2)13-11-7-15-12-5-4-9(14-3)6-10(11)12/h4-6,8,11,13H,7H2,1-3H3
InChIKeyYQZVOJIUYPZCRL-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
(3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran
CID 125488470
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117202343
(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
CID 82241529
N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 81402765
N-[(1R)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 81403157
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
N-(2-cyclopropylpropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 115713963
O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117202333
6-methoxy-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 155736305
N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43789312
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (CID 43511932) is 5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is COc1ccc2c(c1)C(NC(C)C)CO2.
What is the InChIKey of 5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is YQZVOJIUYPZCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)13-11-7-15-12-5-4-9(14-3)6-10(11)12/h4-6,8,11,13H,7H2,1-3H3.
What are the key properties of 5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 207.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43511932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).