N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline

C19H21NO — CID 43687342

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline
SMILESCCCc1ccccc1NC(C)c1cc2ccccc2o1
InChIInChI=1S/C19H21NO/c1-3-8-15-9-4-6-11-17(15)20-14(2)19-13-16-10-5-7-12-18(16)21-19/h4-7,9-14,20H,3,8H2,1-2H3
InChIKeyXQDSZKMKUMTGFA-UHFFFAOYSA-N
MW279.38 g/mol
LogP5.56
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline

N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline (PubChem CID 43687342) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline
PubChem CID43687342
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline
SMILESCCCc1ccccc1NC(C)c1cc2ccccc2o1
InChIInChI=1S/C19H21NO/c1-3-8-15-9-4-6-11-17(15)20-14(2)19-13-16-10-5-7-12-18(16)21-19/h4-7,9-14,20H,3,8H2,1-2H3
InChIKeyXQDSZKMKUMTGFA-UHFFFAOYSA-N
XLogP5.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline (CID 43687342) is N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline is CCCc1ccccc1NC(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline?
The InChIKey is XQDSZKMKUMTGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-8-15-9-4-6-11-17(15)20-14(2)19-13-16-10-5-7-12-18(16)21-19/h4-7,9-14,20H,3,8H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline?
N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline has a molecular weight of 279.38 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline is sourced from PubChem (CID 43687342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).