1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine

C13H19NO — CID 64508577

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
SMILESCC(N)Cc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C13H19NO/c1-9(14)7-10-5-4-6-11-8-13(2,3)15-12(10)11/h4-6,9H,7-8,14H2,1-3H3
InChIKeyDDMYEKGIVJJHGE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.29
Rot. Bonds2

About 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine

1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine (PubChem CID 64508577) 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-7-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
PubChem CID64508577
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
SMILESCC(N)Cc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C13H19NO/c1-9(14)7-10-5-4-6-11-8-13(2,3)15-12(10)11/h4-6,9H,7-8,14H2,1-3H3
InChIKeyDDMYEKGIVJJHGE-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

1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-2-amine
CID 117313385
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol
CID 64508349
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropan-2-amine
CID 117313350
1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine
CID 64509728
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
CID 117311226
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine
CID 64865974
(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl carbamate
CID 54471045
1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine
CID 117335044
2-acetamido-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanoic acid
CID 64509475
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-propan-2-ylpyrrolidine
CID 104688509
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine
CID 64508402

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine (CID 64508577) is 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine is CC(N)Cc1cccc2c1OC(C)(C)C2.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine?
The InChIKey is DDMYEKGIVJJHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(14)7-10-5-4-6-11-8-13(2,3)15-12(10)11/h4-6,9H,7-8,14H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine?
1-(2,2-dimethyl-3H-1-benzofuran-7-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-7-yl)propan-2-amine is sourced from PubChem (CID 64508577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).