1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine

C16H15BrClNO — CID 104545501

IUPAC1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H15BrClNO/c1-19-15(10-2-4-12(17)5-3-10)14-9-13(18)8-11-6-7-20-16(11)14/h2-5,8-9,15,19H,6-7H2,1H3
InChIKeyHNBOFCFESQVXJI-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.35
Rot. Bonds3

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

1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine (PubChem CID 104545501) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
PubChem CID104545501
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H15BrClNO/c1-19-15(10-2-4-12(17)5-3-10)14-9-13(18)8-11-6-7-20-16(11)14/h2-5,8-9,15,19H,6-7H2,1H3
InChIKeyHNBOFCFESQVXJI-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chlorophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107950904
1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107998913
1-(2-bromofuran-3-yl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 106851953
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-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104545449
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 104545410
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 104545535
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 104545551
5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543754
7-[1-bromo-2-(4-bromophenyl)ethyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544050
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-phenylmethyl]propan-1-amine
CID 104545696

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine (CID 104545501) is 1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine is CNC(c1ccc(Br)cc1)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The InChIKey is HNBOFCFESQVXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-19-15(10-2-4-12(17)5-3-10)14-9-13(18)8-11-6-7-20-16(11)14/h2-5,8-9,15,19H,6-7H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine has a molecular weight of 352.66 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine is sourced from PubChem (CID 104545501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).