N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline

C19H21NO — CID 146488900

IUPACN,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline
SMILESCCN(CC)c1ccc(-c2cc3ccc(C)cc3o2)cc1
InChIInChI=1S/C19H21NO/c1-4-20(5-2)17-10-8-15(9-11-17)19-13-16-7-6-14(3)12-18(16)21-19/h6-13H,4-5H2,1-3H3
InChIKeyCHFLNIOIGHIKJF-UHFFFAOYSA-N
MW279.38 g/mol
LogP5.25
Rot. Bonds4

About N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline

N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline (PubChem CID 146488900) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline
PubChem CID146488900
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline
SMILESCCN(CC)c1ccc(-c2cc3ccc(C)cc3o2)cc1
InChIInChI=1S/C19H21NO/c1-4-20(5-2)17-10-8-15(9-11-17)19-13-16-7-6-14(3)12-18(16)21-19/h6-13H,4-5H2,1-3H3
InChIKeyCHFLNIOIGHIKJF-UHFFFAOYSA-N
XLogP5.25
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline?
The IUPAC name of N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline (CID 146488900) is N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline.
What is the SMILES notation for N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline?
The canonical SMILES for N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline is CCN(CC)c1ccc(-c2cc3ccc(C)cc3o2)cc1.
What is the InChIKey of N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline?
The InChIKey is CHFLNIOIGHIKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-4-20(5-2)17-10-8-15(9-11-17)19-13-16-7-6-14(3)12-18(16)21-19/h6-13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline?
N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline has a molecular weight of 279.38 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline is sourced from PubChem (CID 146488900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).