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

C14H16BrNS — CID 81155894

IUPAC1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccccc1Br)c1sc(C)cc1C
InChIInChI=1S/C14H16BrNS/c1-9-8-10(2)17-14(9)13(16-3)11-6-4-5-7-12(11)15/h4-8,13,16H,1-3H3
InChIKeyFAYFOFQZURJBIL-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.44
Rot. Bonds3

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

1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 81155894) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
PubChem CID81155894
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccccc1Br)c1sc(C)cc1C
InChIInChI=1S/C14H16BrNS/c1-9-8-10(2)17-14(9)13(16-3)11-6-4-5-7-12(11)15/h4-8,13,16H,1-3H3
InChIKeyFAYFOFQZURJBIL-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 114023801
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 65279769
1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65279026
1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64990154
1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81157270
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 65279831
1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 81155754
1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81156413
N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 81155528
1-(2-bromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 55079167
N-[(2,5-dibromophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 114369209
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 65279234

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine (CID 81155894) is 1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine is CNC(c1ccccc1Br)c1sc(C)cc1C.
What is the InChIKey of 1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is FAYFOFQZURJBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-9-8-10(2)17-14(9)13(16-3)11-6-4-5-7-12(11)15/h4-8,13,16H,1-3H3.
What are the key properties of 1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81155894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).