1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

C14H15BrClNO — CID 81290766

IUPAC1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(Cl)c1)c1cc(C)oc1C
InChIInChI=1S/C14H15BrClNO/c1-8-6-11(9(2)18-8)14(17-3)10-4-5-12(15)13(16)7-10/h4-7,14,17H,1-3H3
InChIKeyHBQAAFLNPTVGMN-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.62
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (PubChem CID 81290766) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
PubChem CID81290766
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC Name1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(Cl)c1)c1cc(C)oc1C
InChIInChI=1S/C14H15BrClNO/c1-8-6-11(9(2)18-8)14(17-3)10-4-5-12(15)13(16)7-10/h4-7,14,17H,1-3H3
InChIKeyHBQAAFLNPTVGMN-UHFFFAOYSA-N
XLogP4.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine
CID 107476135
1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797356
1-(4-bromo-3-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 81290742
1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 81323562
1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 107960902
1-(4-bromo-3-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 81291376
1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43484298
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820181
1-(4-bromo-3-chlorophenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 81290682
1-(4-bromo-3-chlorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877683
1-(4-bromo-3-chlorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81290075
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050302

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (CID 81290766) is 1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is CNC(c1ccc(Br)c(Cl)c1)c1cc(C)oc1C.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The InChIKey is HBQAAFLNPTVGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c1-8-6-11(9(2)18-8)14(17-3)10-4-5-12(15)13(16)7-10/h4-7,14,17H,1-3H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine has a molecular weight of 328.64 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 81290766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).