1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine

C13H13Br2NS — CID 102827316

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cc(Br)c(C)s1
InChIInChI=1S/C13H13Br2NS/c1-8-11(15)7-12(17-8)13(16-2)9-3-5-10(14)6-4-9/h3-7,13,16H,1-2H3
InChIKeyPTPPNPHSGWOFDL-UHFFFAOYSA-N
MW375.13 g/mol
LogP4.89
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine

1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine (PubChem CID 102827316) has the molecular formula C13H13Br2NS and a molecular weight of 375.13 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine
PubChem CID102827316
Molecular FormulaC13H13Br2NS
Molecular Weight375.13 g/mol
Exact Mass372.91
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cc(Br)c(C)s1
InChIInChI=1S/C13H13Br2NS/c1-8-11(15)7-12(17-8)13(16-2)9-3-5-10(14)6-4-9/h3-7,13,16H,1-2H3
InChIKeyPTPPNPHSGWOFDL-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-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-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 102827397
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 80532880
1-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 102827385
1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 102828331
1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 102827334
1-(4-tert-butylphenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80534082
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 102827434
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 102827250
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 102827456
1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 102827361
1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 80532956
N-[(4-bromo-5-methylthiophen-2-yl)-(4-ethylphenyl)methyl]propan-1-amine
CID 102827854

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine (CID 102827316) is 1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine is CNC(c1ccc(Br)cc1)c1cc(Br)c(C)s1.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine?
The InChIKey is PTPPNPHSGWOFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NS/c1-8-11(15)7-12(17-8)13(16-2)9-3-5-10(14)6-4-9/h3-7,13,16H,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine?
1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine has a molecular weight of 375.13 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine is sourced from PubChem (CID 102827316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).