(3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine

C17H15Cl2NO — CID 43505426

IUPAC(3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3ccc(Cl)c(Cl)c3)c(C)c2c1
InChIInChI=1S/C17H15Cl2NO/c1-9-3-6-15-12(7-9)10(2)17(21-15)16(20)11-4-5-13(18)14(19)8-11/h3-8,16H,20H2,1-2H3
InChIKeyYZJFULSEAUALNT-UHFFFAOYSA-N
MW320.22 g/mol
LogP5.40
Rot. Bonds2

About (3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine

(3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine (PubChem CID 43505426) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
PubChem CID43505426
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3ccc(Cl)c(Cl)c3)c(C)c2c1
InChIInChI=1S/C17H15Cl2NO/c1-9-3-6-15-12(7-9)10(2)17(21-15)16(20)11-4-5-13(18)14(19)8-11/h3-8,16H,20H2,1-2H3
InChIKeyYZJFULSEAUALNT-UHFFFAOYSA-N
XLogP5.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)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

(3,4-dichlorophenyl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63067697
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63549669
(3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine
CID 43149692
3-[amino-(3,5-dimethyl-1-benzofuran-2-yl)methyl]benzonitrile
CID 63990555
(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine
CID 43505413
(3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine
CID 43149687
4-[amino-(5-chloro-3-methyl-1-benzofuran-2-yl)methyl]benzonitrile
CID 62072398
(5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
CID 54897874
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine
CID 43149723
3-methyl-2,5-di(propan-2-yl)-1-benzofuran
CID 154693825
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 62073231
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092272

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine (CID 43505426) is (3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine is Cc1ccc2oc(C(N)c3ccc(Cl)c(Cl)c3)c(C)c2c1.
What is the InChIKey of (3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine?
The InChIKey is YZJFULSEAUALNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-9-3-6-15-12(7-9)10(2)17(21-15)16(20)11-4-5-13(18)14(19)8-11/h3-8,16H,20H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine?
(3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine has a molecular weight of 320.22 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 43505426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).