1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine

C13H19NO — CID 107293478

IUPAC1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
SMILESCCC(N)c1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C13H19NO/c1-4-11(14)9-5-6-12-10(7-9)13(2,3)8-15-12/h5-7,11H,4,8,14H2,1-3H3
InChIKeyUGYILKKSOFNBJC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.77
Rot. Bonds2

About 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine (PubChem CID 107293478) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
PubChem CID107293478
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
SMILESCCC(N)c1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C13H19NO/c1-4-11(14)9-5-6-12-10(7-9)13(2,3)8-15-12/h5-7,11H,4,8,14H2,1-3H3
InChIKeyUGYILKKSOFNBJC-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)hexan-1-amine
CID 107293547
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine
CID 107293570
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine
CID 107293388
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine
CID 107293503
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-methylsulfanylphenyl)methanamine
CID 107293403
(5-chlorofuran-2-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293504
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine
CID 107293609
5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294445
5-(1-chloro-3,3-dimethylbutyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294244
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-iodophenyl)methanamine
CID 107293573
(2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293441

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine?
The IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine (CID 107293478) is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine.
What is the SMILES notation for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine?
The canonical SMILES for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine is CCC(N)c1ccc2c(c1)C(C)(C)CO2.
What is the InChIKey of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine?
The InChIKey is UGYILKKSOFNBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-11(14)9-5-6-12-10(7-9)13(2,3)8-15-12/h5-7,11H,4,8,14H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine?
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine is sourced from PubChem (CID 107293478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).