N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine

C19H21NO — CID 104842836

IUPACN-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2c(-c3ccccc3)cccc2c1CC
InChIInChI=1S/C19H21NO/c1-3-15-17-12-8-11-16(14-9-6-5-7-10-14)19(17)21-18(15)13-20-4-2/h5-12,20H,3-4,13H2,1-2H3
InChIKeyQVXKKAMVGZWYGR-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.77
Rot. Bonds5

About N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine

N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 104842836) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID104842836
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2c(-c3ccccc3)cccc2c1CC
InChIInChI=1S/C19H21NO/c1-3-15-17-12-8-11-16(14-9-6-5-7-10-14)19(17)21-18(15)13-20-4-2/h5-12,20H,3-4,13H2,1-2H3
InChIKeyQVXKKAMVGZWYGR-UHFFFAOYSA-N
XLogP4.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine
CID 104843107
[3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine
CID 114375378
1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843083
N-[(7-chloro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81047321
N-[(5-chloro-3-ethyl-7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 114267988
N-[(4-bromo-7-chloro-3-ethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 113459863
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104842810
1,6-diphenyldibenzofuran
CID 145331756
N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104842849
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
2,3-diethyl-1,4-diphenylbenzene
CID 59383229
N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine (CID 104842836) is N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine is CCNCc1oc2c(-c3ccccc3)cccc2c1CC.
What is the InChIKey of N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is QVXKKAMVGZWYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-15-17-12-8-11-16(14-9-6-5-7-10-14)19(17)21-18(15)13-20-4-2/h5-12,20H,3-4,13H2,1-2H3.
What are the key properties of N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine?
N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 104842836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).