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

C15H18BrNS — CID 104851175

IUPAC1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Br)c1)c1cc(C)sc1C
InChIInChI=1S/C15H18BrNS/c1-9-5-12(8-13(16)6-9)15(17-4)14-7-10(2)18-11(14)3/h5-8,15,17H,1-4H3
InChIKeyXVCAYDTZYQUKPK-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.74
Rot. Bonds3

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

1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine (PubChem CID 104851175) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
PubChem CID104851175
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Br)c1)c1cc(C)sc1C
InChIInChI=1S/C15H18BrNS/c1-9-5-12(8-13(16)6-9)15(17-4)14-7-10(2)18-11(14)3/h5-8,15,17H,1-4H3
InChIKeyXVCAYDTZYQUKPK-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-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 107950365
1-(2-bromofuran-3-yl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 106851575
N-[(3-bromo-5-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107950442
1-(7-bromo-1-benzothiophen-3-yl)-1-(3-bromo-5-methylphenyl)-N-methylmethanamine
CID 104851379
1-(3-bromo-5-methylphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 104851250
1-(3,5-dibromophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114022838
1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652981
1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797203
1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
CID 115353809
1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648834
1-(5-bromo-2-methylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016620
1-(4-bromo-2-fluorophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906456

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine (CID 104851175) is 1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine is CNC(c1cc(C)cc(Br)c1)c1cc(C)sc1C.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine?
The InChIKey is XVCAYDTZYQUKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-9-5-12(8-13(16)6-9)15(17-4)14-7-10(2)18-11(14)3/h5-8,15,17H,1-4H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine?
1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-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-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 104851175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).