N-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine

C21H25NO — CID 10086554

IUPACN-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1oc2ccccc2c1CCc1ccccc1
InChIInChI=1S/C21H25NO/c1-2-15-22-16-14-21-19(13-12-17-8-4-3-5-9-17)18-10-6-7-11-20(18)23-21/h3-11,22H,2,12-16H2,1H3
InChIKeyOOTYNTFFQFPCKM-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.76
Rot. Bonds8

About N-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine

N-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine (PubChem CID 10086554) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine
PubChem CID10086554
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1oc2ccccc2c1CCc1ccccc1
InChIInChI=1S/C21H25NO/c1-2-15-22-16-14-21-19(13-12-17-8-4-3-5-9-17)18-10-6-7-11-20(18)23-21/h3-11,22H,2,12-16H2,1H3
InChIKeyOOTYNTFFQFPCKM-UHFFFAOYSA-N
XLogP4.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine (CID 10086554) is N-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine is CCCNCCc1oc2ccccc2c1CCc1ccccc1.
What is the InChIKey of N-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine?
The InChIKey is OOTYNTFFQFPCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-2-15-22-16-14-21-19(13-12-17-8-4-3-5-9-17)18-10-6-7-11-20(18)23-21/h3-11,22H,2,12-16H2,1H3.
What are the key properties of N-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine?
N-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine has a molecular weight of 307.44 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 10086554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).