1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine

C17H19NO — CID 114743817

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)(N)c2cccc3c2OCC3)cc1
InChIInChI=1S/C17H19NO/c1-12-6-8-14(9-7-12)17(2,18)15-5-3-4-13-10-11-19-16(13)15/h3-9H,10-11,18H2,1-2H3
InChIKeyYJZAKFXQBRTTJT-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.15
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine

1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine (PubChem CID 114743817) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine
PubChem CID114743817
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)(N)c2cccc3c2OCC3)cc1
InChIInChI=1S/C17H19NO/c1-12-6-8-14(9-7-12)17(2,18)15-5-3-4-13-10-11-19-16(13)15/h3-9H,10-11,18H2,1-2H3
InChIKeyYJZAKFXQBRTTJT-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine
CID 114743820
2-(2,3-dihydro-1-benzofuran-7-yl)-1-methoxypropan-2-amine
CID 114743871
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran
CID 173236217
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one
CID 114746860
2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine
CID 114743879
1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine
CID 63987756
2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
CID 114743757
2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine
CID 114747716

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine (CID 114743817) is 1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)(N)c2cccc3c2OCC3)cc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine?
The InChIKey is YJZAKFXQBRTTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-6-8-14(9-7-12)17(2,18)15-5-3-4-13-10-11-19-16(13)15/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine has a molecular weight of 253.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 114743817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).