N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine

C15H21NO2 — CID 80702779

IUPACN-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine
SMILESCCCC(COC)NCc1coc2ccccc12
InChIInChI=1S/C15H21NO2/c1-3-6-13(11-17-2)16-9-12-10-18-15-8-5-4-7-14(12)15/h4-5,7-8,10,13,16H,3,6,9,11H2,1-2H3
InChIKeyZFVMNZUVIFRYJD-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.34
Rot. Bonds7

About N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine

N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine (PubChem CID 80702779) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine
PubChem CID80702779
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine
SMILESCCCC(COC)NCc1coc2ccccc12
InChIInChI=1S/C15H21NO2/c1-3-6-13(11-17-2)16-9-12-10-18-15-8-5-4-7-14(12)15/h4-5,7-8,10,13,16H,3,6,9,11H2,1-2H3
InChIKeyZFVMNZUVIFRYJD-UHFFFAOYSA-N
XLogP3.34
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103271001
N-(1-benzofuran-3-ylmethyl)octan-2-amine
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1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine
CID 115750447
2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80701303
N-(1-benzofuran-3-ylmethyl)but-3-en-2-amine
CID 115750474
2-(1-benzofuran-3-ylmethylamino)propanenitrile
CID 115130217
N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908
N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine
CID 80700753
N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115750426
3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol
CID 103826324
methyl (2S,3S)-2-(1-benzofuran-3-ylmethylamino)-3-hydroxybutanoate
CID 99834994

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine (CID 80702779) is N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine is CCCC(COC)NCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine?
The InChIKey is ZFVMNZUVIFRYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-6-13(11-17-2)16-9-12-10-18-15-8-5-4-7-14(12)15/h4-5,7-8,10,13,16H,3,6,9,11H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine?
N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine is sourced from PubChem (CID 80702779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).