1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine

C16H14Br2ClNO — CID 107998913

IUPAC1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Br)c1)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H14Br2ClNO/c1-20-15(9-2-3-14(19)13(18)7-9)12-8-11(17)6-10-4-5-21-16(10)12/h2-3,6-8,15,20H,4-5H2,1H3
InChIKeyUFDXWPAVYFBSRP-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.11
Rot. Bonds3

About 1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine

1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine (PubChem CID 107998913) has the molecular formula C16H14Br2ClNO and a molecular weight of 431.56 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
PubChem CID107998913
Molecular FormulaC16H14Br2ClNO
Molecular Weight431.56 g/mol
Exact Mass428.91
IUPAC Name1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Br)c1)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H14Br2ClNO/c1-20-15(9-2-3-14(19)13(18)7-9)12-8-11(17)6-10-4-5-21-16(10)12/h2-3,6-8,15,20H,4-5H2,1H3
InChIKeyUFDXWPAVYFBSRP-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine 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-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 104541674
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 104541669
1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 104545501
1-(3-bromo-5-chlorophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107950904
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 104541780
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-bromo-5-fluorophenyl)-N-methylmethanamine
CID 104541688
5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543401
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 104541765
5-bromo-7-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543484
5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 107992186
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chlorophenyl)methyl]ethanamine
CID 104541804
1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 115567194

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine (CID 107998913) is 1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine is CNC(c1ccc(Cl)c(Br)c1)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The InChIKey is UFDXWPAVYFBSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2ClNO/c1-20-15(9-2-3-14(19)13(18)7-9)12-8-11(17)6-10-4-5-21-16(10)12/h2-3,6-8,15,20H,4-5H2,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine has a molecular weight of 431.56 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine is sourced from PubChem (CID 107998913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).