N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C17H21NO — CID 78923408

IUPACN-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(Cc1ccccc1)NC1CCCc2occc21
InChIInChI=1S/C17H21NO/c1-13(12-14-6-3-2-4-7-14)18-16-8-5-9-17-15(16)10-11-19-17/h2-4,6-7,10-11,13,16,18H,5,8-9,12H2,1H3
InChIKeyQWSOBILGBNFQOC-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.88
Rot. Bonds4

About N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 78923408) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID78923408
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(Cc1ccccc1)NC1CCCc2occc21
InChIInChI=1S/C17H21NO/c1-13(12-14-6-3-2-4-7-14)18-16-8-5-9-17-15(16)10-11-19-17/h2-4,6-7,10-11,13,16,18H,5,8-9,12H2,1H3
InChIKeyQWSOBILGBNFQOC-UHFFFAOYSA-N
XLogP3.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 78923408) is N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CC(Cc1ccccc1)NC1CCCc2occc21.
What is the InChIKey of N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is QWSOBILGBNFQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(12-14-6-3-2-4-7-14)18-16-8-5-9-17-15(16)10-11-19-17/h2-4,6-7,10-11,13,16,18H,5,8-9,12H2,1H3.
What are the key properties of N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 255.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 78923408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).