1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine

C14H19NO — CID 79444773

IUPAC1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO/c1-4-10(2)14(15-3)13-9-11-7-5-6-8-12(11)16-13/h5-10,14-15H,4H2,1-3H3
InChIKeyOJOGWKGLMOJBFI-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.74
Rot. Bonds4

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

1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine (PubChem CID 79444773) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
PubChem CID79444773
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO/c1-4-10(2)14(15-3)13-9-11-7-5-6-8-12(11)16-13/h5-10,14-15H,4H2,1-3H3
InChIKeyOJOGWKGLMOJBFI-UHFFFAOYSA-N
XLogP3.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 105044033
1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731162
1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
CID 103759858
2-butan-2-yl-1-benzofuran
CID 12065919
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103312315
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
[1-(1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247149
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66274561
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 62631823
1-(1-benzofuran-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 114731176

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine (CID 79444773) is 1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine is CCC(C)C(NC)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is OJOGWKGLMOJBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-10(2)14(15-3)13-9-11-7-5-6-8-12(11)16-13/h5-10,14-15H,4H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine?
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 79444773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).