N-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine

C24H26N2O — CID 155543054

IUPACN-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
SMILESCCCN(CCc1c[nH]c2ccccc12)Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C24H26N2O/c1-2-15-26(16-14-20-17-25-23-11-7-6-10-22(20)23)18-21-12-13-24(27-21)19-8-4-3-5-9-19/h3-13,17,25H,2,14-16,18H2,1H3
InChIKeyQFXDBYVYTITKDW-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.88
Rot. Bonds8

About N-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine

N-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine (PubChem CID 155543054) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
PubChem CID155543054
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
SMILESCCCN(CCc1c[nH]c2ccccc12)Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C24H26N2O/c1-2-15-26(16-14-20-17-25-23-11-7-6-10-22(20)23)18-21-12-13-24(27-21)19-8-4-3-5-9-19/h3-13,17,25H,2,14-16,18H2,1H3
InChIKeyQFXDBYVYTITKDW-UHFFFAOYSA-N
XLogP5.88
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine (CID 155543054) is N-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine is CCCN(CCc1c[nH]c2ccccc12)Cc1ccc(-c2ccccc2)o1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is QFXDBYVYTITKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-2-15-26(16-14-20-17-25-23-11-7-6-10-22(20)23)18-21-12-13-24(27-21)19-8-4-3-5-9-19/h3-13,17,25H,2,14-16,18H2,1H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine?
N-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 358.49 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 155543054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).