N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline

C18H20N2O — CID 80700341

IUPACN-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1cccc(NCc2coc3ccccc23)c1
InChIInChI=1S/C18H20N2O/c1-20(2)12-14-6-5-7-16(10-14)19-11-15-13-21-18-9-4-3-8-17(15)18/h3-10,13,19H,11-12H2,1-2H3
InChIKeyRSNXSQHMJDIXDH-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.11
Rot. Bonds5

About N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline

N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline (PubChem CID 80700341) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline
PubChem CID80700341
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1cccc(NCc2coc3ccccc23)c1
InChIInChI=1S/C18H20N2O/c1-20(2)12-14-6-5-7-16(10-14)19-11-15-13-21-18-9-4-3-8-17(15)18/h3-10,13,19H,11-12H2,1-2H3
InChIKeyRSNXSQHMJDIXDH-UHFFFAOYSA-N
XLogP4.11
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline 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

3-(1-benzofuran-3-ylmethylamino)benzoic acid
CID 80701632
N-(1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 80700752
2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol
CID 61261950
N-[(4-aminophenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 83962509
4-chloro-2-[[3-[(dimethylamino)methyl]anilino]methyl]phenol
CID 43688843
3-[(dimethylamino)methyl]-N-phenylaniline
CID 173320558
3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62329226
3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 43435749
N-[(2-bromo-5-methoxyphenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 103827945
N-(1-benzofuran-3-ylmethyl)quinolin-6-amine
CID 80700880
2-[5-[[3-[(dimethylamino)methyl]anilino]methyl]thiophen-2-yl]acetic acid
CID 82886893
N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 80701115

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline (CID 80700341) is N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline is CN(C)Cc1cccc(NCc2coc3ccccc23)c1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline?
The InChIKey is RSNXSQHMJDIXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(2)12-14-6-5-7-16(10-14)19-11-15-13-21-18-9-4-3-8-17(15)18/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline?
N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline has a molecular weight of 280.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 80700341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).