N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine

C13H17NO2 — CID 43180579

IUPACN-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1cc2ccccc2o1
InChIInChI=1S/C13H17NO2/c1-10(9-15-2)14-8-12-7-11-5-3-4-6-13(11)16-12/h3-7,10,14H,8-9H2,1-2H3
InChIKeyFRXIXODJYLTBIB-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.56
Rot. Bonds5

About N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine

N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine (PubChem CID 43180579) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
PubChem CID43180579
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1cc2ccccc2o1
InChIInChI=1S/C13H17NO2/c1-10(9-15-2)14-8-12-7-11-5-3-4-6-13(11)16-12/h3-7,10,14H,8-9H2,1-2H3
InChIKeyFRXIXODJYLTBIB-UHFFFAOYSA-N
XLogP2.56
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271023
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
2-(1-benzofuran-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111071410
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine
CID 81403388
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 28653087
2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111818050
3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol
CID 103685027
[5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol
CID 96569409
1-[[[(2R)-1-methoxypropan-2-yl]amino]methyl]benzo[f]chromen-3-one
CID 9265711

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine (CID 43180579) is N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine is COCC(C)NCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine?
The InChIKey is FRXIXODJYLTBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(9-15-2)14-8-12-7-11-5-3-4-6-13(11)16-12/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine?
N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine has a molecular weight of 219.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine is sourced from PubChem (CID 43180579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).