1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine

C15H18BrNS — CID 114023801

IUPAC1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cccc(C)c1Br)c1sc(C)cc1C
InChIInChI=1S/C15H18BrNS/c1-9-6-5-7-12(13(9)16)14(17-4)15-10(2)8-11(3)18-15/h5-8,14,17H,1-4H3
InChIKeyPCWPIAAUVJVXJK-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.74
Rot. Bonds3

About 1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine

1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 114023801) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
PubChem CID114023801
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cccc(C)c1Br)c1sc(C)cc1C
InChIInChI=1S/C15H18BrNS/c1-9-6-5-7-12(13(9)16)14(17-4)15-10(2)8-11(3)18-15/h5-8,14,17H,1-4H3
InChIKeyPCWPIAAUVJVXJK-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81155894
3-bromo-2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
CID 107983579
1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107981867
N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157055
1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43486963
1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 107981875
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 65279769
1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 114024192
1-(5-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 61103986
1-(2-bromo-3-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 107981976
1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81157270
1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 81155754

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine (CID 114023801) is 1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine is CNC(c1cccc(C)c1Br)c1sc(C)cc1C.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is PCWPIAAUVJVXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-9-6-5-7-12(13(9)16)14(17-4)15-10(2)8-11(3)18-15/h5-8,14,17H,1-4H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 324.29 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114023801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).