N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine

C17H17NO — CID 114727848

IUPACN-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H17NO/c1-12-8-9-15-14(10-12)11-16(19-15)17(18-2)13-6-4-3-5-7-13/h3-11,17-18H,1-2H3
InChIKeyYAKRIFVHMHYUIM-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.05
Rot. Bonds3

About N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine

N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine (PubChem CID 114727848) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
PubChem CID114727848
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC NameN-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H17NO/c1-12-8-9-15-14(10-12)11-16(19-15)17(18-2)13-6-4-3-5-7-13/h3-11,17-18H,1-2H3
InChIKeyYAKRIFVHMHYUIM-UHFFFAOYSA-N
XLogP4.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114727544
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107503555
N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
CID 114727860
1-(3,5-difluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114728139
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methylfuran-3-yl)methanamine
CID 105045142
1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045172
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methyl-3-pyridinyl)methanamine
CID 105173880
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114727660
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114727892
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine
CID 114730952
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(6-methyl-2-pyridinyl)methanamine
CID 114728572
1-(2,3-dimethylphenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045109

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine?
The IUPAC name of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine (CID 114727848) is N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine is CNC(c1ccccc1)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine?
The InChIKey is YAKRIFVHMHYUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-8-9-15-14(10-12)11-16(19-15)17(18-2)13-6-4-3-5-7-13/h3-11,17-18H,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine?
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine has a molecular weight of 251.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine is sourced from PubChem (CID 114727848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).