1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine

C18H21NO — CID 104542228

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO/c1-2-11-18(19,15-6-4-3-5-7-15)16-8-9-17-14(13-16)10-12-20-17/h3-9,13H,2,10-12,19H2,1H3
InChIKeyWOUAJOKCDGLZDW-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.62
Rot. Bonds4

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

1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine (PubChem CID 104542228) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine
PubChem CID104542228
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine
SMILESCCCC(N)(c1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO/c1-2-11-18(19,15-6-4-3-5-7-15)16-8-9-17-14(13-16)10-12-20-17/h3-9,13H,2,10-12,19H2,1H3
InChIKeyWOUAJOKCDGLZDW-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine
CID 104542207
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
2-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxybutan-2-amine
CID 104542243
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropane-1-thiol
CID 116866512
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830115
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
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
CID 62488581
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine
CID 170188643
2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine (CID 104542228) is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine is CCCC(N)(c1ccccc1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine?
The InChIKey is WOUAJOKCDGLZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-11-18(19,15-6-4-3-5-7-15)16-8-9-17-14(13-16)10-12-20-17/h3-9,13H,2,10-12,19H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.62, 4 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-phenylbutan-1-amine is sourced from PubChem (CID 104542228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).