1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine

C14H21NO — CID 63020410

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1ccc2c(c1)COC2
InChIInChI=1S/C14H21NO/c1-10(2)6-14(15-3)11-4-5-12-8-16-9-13(12)7-11/h4-5,7,10,14-15H,6,8-9H2,1-3H3
InChIKeyDCHPEHALLPXBIZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.02
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine

1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine (PubChem CID 63020410) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
PubChem CID63020410
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1ccc2c(c1)COC2
InChIInChI=1S/C14H21NO/c1-10(2)6-14(15-3)11-4-5-12-8-16-9-13(12)7-11/h4-5,7,10,14-15H,6,8-9H2,1-3H3
InChIKeyDCHPEHALLPXBIZ-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
CID 63018997
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
CID 63019372
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 63019172
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846765
2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115787083
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105029864
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine
CID 115849427
1-(1,3-dihydro-2-benzofuran-5-yl)propylhydrazine
CID 105281849
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 115856930
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019704
2-(2-bromo-5-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115843631
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 63021279

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine (CID 63020410) is 1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine is CNC(CC(C)C)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is DCHPEHALLPXBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)6-14(15-3)11-4-5-12-8-16-9-13(12)7-11/h4-5,7,10,14-15H,6,8-9H2,1-3H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 63020410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).