1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine

C17H17NO — CID 63090603

IUPAC1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2cc3ccccc3o2)c1C
InChIInChI=1S/C17H17NO/c1-11-6-5-8-14(12(11)2)17(18)16-10-13-7-3-4-9-15(13)19-16/h3-10,17H,18H2,1-2H3
InChIKeyKIYUEDINHBVIDC-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.10
Rot. Bonds2

About 1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine

1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine (PubChem CID 63090603) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
PubChem CID63090603
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2cc3ccccc3o2)c1C
InChIInChI=1S/C17H17NO/c1-11-6-5-8-14(12(11)2)17(18)16-10-13-7-3-4-9-15(13)19-16/h3-10,17H,18H2,1-2H3
InChIKeyKIYUEDINHBVIDC-UHFFFAOYSA-N
XLogP4.10
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine 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-benzofuran-2-yl-(2,3-dimethylphenyl)methyl]hydrazine
CID 105218327
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433505
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
1-benzofuran-2-yl-(2,3-dichlorophenyl)methanamine
CID 63091124
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine
CID 43096132
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118
1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 63991259

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine (CID 63090603) is 1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine is Cc1cccc(C(N)c2cc3ccccc3o2)c1C.
What is the InChIKey of 1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine?
The InChIKey is KIYUEDINHBVIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-11-6-5-8-14(12(11)2)17(18)16-10-13-7-3-4-9-15(13)19-16/h3-10,17H,18H2,1-2H3.
What are the key properties of 1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine?
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 63090603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).