1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine

C16H17NO — CID 104542207

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine
SMILESCC(N)(c1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H17NO/c1-16(17,13-5-3-2-4-6-13)14-7-8-15-12(11-14)9-10-18-15/h2-8,11H,9-10,17H2,1H3
InChIKeyYANYFMQBAAAVKL-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.84
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine (PubChem CID 104542207) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine
PubChem CID104542207
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine
SMILESCC(N)(c1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H17NO/c1-16(17,13-5-3-2-4-6-13)14-7-8-15-12(11-14)9-10-18-15/h2-8,11H,9-10,17H2,1H3
InChIKeyYANYFMQBAAAVKL-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine
CID 104542228
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
CID 62488581
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropane-1-thiol
CID 116866512
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136364
benzoic acid;ethane;5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 172603158
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255
4-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1-benzofuran;ethane
CID 158682254
2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine
CID 104542243
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine
CID 170188643

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine (CID 104542207) is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine is CC(N)(c1ccccc1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine?
The InChIKey is YANYFMQBAAAVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-16(17,13-5-3-2-4-6-13)14-7-8-15-12(11-14)9-10-18-15/h2-8,11H,9-10,17H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine has a molecular weight of 239.32 g/mol, XLogP of 2.84, 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-5-yl)-1-phenylethanamine is sourced from PubChem (CID 104542207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).