1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine

C17H17NO — CID 61064024

IUPAC1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C17H17NO/c1-18-15(11-13-7-3-2-4-8-13)17-12-14-9-5-6-10-16(14)19-17/h2-10,12,15,18H,11H2,1H3
InChIKeyPBTJTWJQZQWGBL-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.94
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine

1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine (PubChem CID 61064024) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
PubChem CID61064024
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C17H17NO/c1-18-15(11-13-7-3-2-4-8-13)17-12-14-9-5-6-10-16(14)19-17/h2-10,12,15,18H,11H2,1H3
InChIKeyPBTJTWJQZQWGBL-UHFFFAOYSA-N
XLogP3.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 62504958
[1-(1-benzofuran-2-yl)-2-phenylethyl]hydrazine
CID 105195415
1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine
CID 64621206
1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 104802037
1-(1-benzofuran-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 63091310
1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112643022
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876336
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine (CID 61064024) is 1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine is CNC(Cc1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine?
The InChIKey is PBTJTWJQZQWGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-18-15(11-13-7-3-2-4-8-13)17-12-14-9-5-6-10-16(14)19-17/h2-10,12,15,18H,11H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine?
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 61064024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).