N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine

C18H19NO — CID 114732246

IUPACN-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
SMILESCNC(C)c1cccc(-c2cc3cc(C)ccc3o2)c1
InChIInChI=1S/C18H19NO/c1-12-7-8-17-16(9-12)11-18(20-17)15-6-4-5-14(10-15)13(2)19-3/h4-11,13,19H,1-3H3
InChIKeyTVXFXUCTZGIARD-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.69
Rot. Bonds3

About N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine

N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine (PubChem CID 114732246) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
PubChem CID114732246
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
SMILESCNC(C)c1cccc(-c2cc3cc(C)ccc3o2)c1
InChIInChI=1S/C18H19NO/c1-12-7-8-17-16(9-12)11-18(20-17)15-6-4-5-14(10-15)13(2)19-3/h4-11,13,19H,1-3H3
InChIKeyTVXFXUCTZGIARD-UHFFFAOYSA-N
XLogP4.69
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114731929
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran
CID 145031024
1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732238
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
1-(3-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114727544
N-methyl-1-[4-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732283
1-[3-(3-bromophenyl)phenyl]-N-methylethanamine
CID 113324687
N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732235
1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114732268
1-[3-(4-bromophenyl)phenyl]-N-methylethanamine
CID 63888721
6-methyl-3-(3-methylphenyl)chromen-2-one
CID 56594232

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine (CID 114732246) is N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine is CNC(C)c1cccc(-c2cc3cc(C)ccc3o2)c1.
What is the InChIKey of N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
The InChIKey is TVXFXUCTZGIARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-7-8-17-16(9-12)11-18(20-17)15-6-4-5-14(10-15)13(2)19-3/h4-11,13,19H,1-3H3.
What are the key properties of N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine is sourced from PubChem (CID 114732246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).