2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine

C18H21NO2 — CID 114743879

IUPAC2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)(N)c2cccc3c2OCC3)cc1
InChIInChI=1S/C18H21NO2/c1-18(19,12-13-6-8-15(20-2)9-7-13)16-5-3-4-14-10-11-21-17(14)16/h3-9H,10-12,19H2,1-2H3
InChIKeyKVWKSIUIVICUJK-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.05
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine

2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine (PubChem CID 114743879) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine
PubChem CID114743879
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)(N)c2cccc3c2OCC3)cc1
InChIInChI=1S/C18H21NO2/c1-18(19,12-13-6-8-15(20-2)9-7-13)16-5-3-4-14-10-11-21-17(14)16/h3-9H,10-12,19H2,1-2H3
InChIKeyKVWKSIUIVICUJK-UHFFFAOYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-7-yl)-1-methoxypropan-2-amine
CID 114743871
7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran
CID 173236217
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one
CID 114746860
1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114743837
1-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114743831
4-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3,5-dimethylphenyl)methyl]-1,1,1-trifluoro-4-methylpentan-2-ol
CID 10194169
N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine
CID 136569642
2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114747718
3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114747537
2-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273223
1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine
CID 114743820

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine (CID 114743879) is 2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine is COc1ccc(CC(C)(N)c2cccc3c2OCC3)cc1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine?
The InChIKey is KVWKSIUIVICUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(19,12-13-6-8-15(20-2)9-7-13)16-5-3-4-14-10-11-21-17(14)16/h3-9H,10-12,19H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine?
2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine has a molecular weight of 283.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 114743879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).