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

C19H23NO — CID 62326891

IUPAC1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2ccc3c(c2)CC(C)(C)O3)c1
InChIInChI=1S/C19H23NO/c1-4-17(20)15-7-5-6-13(10-15)14-8-9-18-16(11-14)12-19(2,3)21-18/h5-11,17H,4,12,20H2,1-3H3
InChIKeyNGQDKULZIOTJDR-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.48
Rot. Bonds3

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

1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine (PubChem CID 62326891) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine
PubChem CID62326891
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2ccc3c(c2)CC(C)(C)O3)c1
InChIInChI=1S/C19H23NO/c1-4-17(20)15-7-5-6-13(10-15)14-8-9-18-16(11-14)12-19(2,3)21-18/h5-11,17H,4,12,20H2,1-3H3
InChIKeyNGQDKULZIOTJDR-UHFFFAOYSA-N
XLogP4.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine (CID 62326891) is 1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine is CCC(N)c1cccc(-c2ccc3c(c2)CC(C)(C)O3)c1.
What is the InChIKey of 1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine?
The InChIKey is NGQDKULZIOTJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-17(20)15-7-5-6-13(10-15)14-8-9-18-16(11-14)12-19(2,3)21-18/h5-11,17H,4,12,20H2,1-3H3.
What are the key properties of 1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine?
1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine is sourced from PubChem (CID 62326891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).