N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine

C14H21NO2 — CID 79227067

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
SMILESCOCCCCNCC1COc2ccccc21
InChIInChI=1S/C14H21NO2/c1-16-9-5-4-8-15-10-12-11-17-14-7-3-2-6-13(12)14/h2-3,6-7,12,15H,4-5,8-11H2,1H3
InChIKeyXKRLAQVTSXTQDL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.18
Rot. Bonds7

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine (PubChem CID 79227067) 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)-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
PubChem CID79227067
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
SMILESCOCCCCNCC1COc2ccccc21
InChIInChI=1S/C14H21NO2/c1-16-9-5-4-8-15-10-12-11-17-14-7-3-2-6-13(12)14/h2-3,6-7,12,15H,4-5,8-11H2,1H3
InChIKeyXKRLAQVTSXTQDL-UHFFFAOYSA-N
XLogP2.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine
CID 115756534
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 79226040
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
CID 107320375
6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
CID 114008270
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol
CID 114163594
N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine
CID 115709754
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine
CID 79227069
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine (CID 79227067) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine is COCCCCNCC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine?
The InChIKey is XKRLAQVTSXTQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-9-5-4-8-15-10-12-11-17-14-7-3-2-6-13(12)14/h2-3,6-7,12,15H,4-5,8-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.18, 7 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)-4-methoxybutan-1-amine is sourced from PubChem (CID 79227067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).