N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine

C14H21NO2 — CID 79227069

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNCC1COc2ccccc21
InChIInChI=1S/C14H21NO2/c1-11(9-16-2)7-15-8-12-10-17-14-6-4-3-5-13(12)14/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyAZCLAYAJBIABDY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine (PubChem CID 79227069) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine
PubChem CID79227069
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNCC1COc2ccccc21
InChIInChI=1S/C14H21NO2/c1-11(9-16-2)7-15-8-12-10-17-14-6-4-3-5-13(12)14/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyAZCLAYAJBIABDY-UHFFFAOYSA-N
XLogP2.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol
CID 114163594
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 79226040
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol
CID 79226740
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine
CID 79218781
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
3-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79229188
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 79226749
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine (CID 79227069) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine is COCC(C)CNCC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine?
The InChIKey is AZCLAYAJBIABDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(9-16-2)7-15-8-12-10-17-14-6-4-3-5-13(12)14/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 79227069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).