1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine

C13H19NO — CID 117294068

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine
SMILESCC(N)Cc1ccc2c(c1)OC(C)(C)C2
InChIInChI=1S/C13H19NO/c1-9(14)6-10-4-5-11-8-13(2,3)15-12(11)7-10/h4-5,7,9H,6,8,14H2,1-3H3
InChIKeyARQMIDQILXNEFL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.29
Rot. Bonds2

About 1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine

1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine (PubChem CID 117294068) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine
PubChem CID117294068
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine
SMILESCC(N)Cc1ccc2c(c1)OC(C)(C)C2
InChIInChI=1S/C13H19NO/c1-9(14)6-10-4-5-11-8-13(2,3)15-12(11)7-10/h4-5,7,9H,6,8,14H2,1-3H3
InChIKeyARQMIDQILXNEFL-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine
CID 82599528
2-amino-3-(2,2-dimethyl-3H-1-benzofuran-6-yl)propanoic acid
CID 82389430
[4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine
CID 151427934
3-(2,2-dimethyl-3H-1-benzofuran-6-yl)propanoic acid
CID 82392727
(2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine
CID 133082521
6-chloro-2,2-dimethyl-3H-1-benzofuran
CID 13333889
1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine
CID 82340334
5-(2-aminopropyl)-3H-1-benzofuran-2,2-dicarboxylic acid
CID 22106719
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine
CID 117405680
4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine
CID 117339343
1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 117281618

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine (CID 117294068) is 1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine is CC(N)Cc1ccc2c(c1)OC(C)(C)C2.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine?
The InChIKey is ARQMIDQILXNEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(14)6-10-4-5-11-8-13(2,3)15-12(11)7-10/h4-5,7,9H,6,8,14H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine?
1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine is sourced from PubChem (CID 117294068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).