N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine

C15H13Cl2NO — CID 63378996

IUPACN-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESClc1ccc(CNC2COc3ccccc32)cc1Cl
InChIInChI=1S/C15H13Cl2NO/c16-12-6-5-10(7-13(12)17)8-18-14-9-19-15-4-2-1-3-11(14)15/h1-7,14,18H,8-9H2
InChIKeyDFZWCPBSMUUFJO-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.22
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine

N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63378996) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63378996
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESClc1ccc(CNC2COc3ccccc32)cc1Cl
InChIInChI=1S/C15H13Cl2NO/c16-12-6-5-10(7-13(12)17)8-18-14-9-19-15-4-2-1-3-11(14)15/h1-7,14,18H,8-9H2
InChIKeyDFZWCPBSMUUFJO-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine (CID 63378996) is N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine is Clc1ccc(CNC2COc3ccccc32)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is DFZWCPBSMUUFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c16-12-6-5-10(7-13(12)17)8-18-14-9-19-15-4-2-1-3-11(14)15/h1-7,14,18H,8-9H2.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 294.18 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63378996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).