1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine

C14H16BrNS — CID 61065076

IUPAC1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1ccc(Br)s1
InChIInChI=1S/C14H16BrNS/c1-10-3-5-11(6-4-10)9-12(16-2)13-7-8-14(15)17-13/h3-8,12,16H,9H2,1-2H3
InChIKeyOAWAZKAJQMGFCA-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.32
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine

1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 61065076) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID61065076
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1ccc(Br)s1
InChIInChI=1S/C14H16BrNS/c1-10-3-5-11(6-4-10)9-12(16-2)13-7-8-14(15)17-13/h3-8,12,16H,9H2,1-2H3
InChIKeyOAWAZKAJQMGFCA-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43480719
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43486882
1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748456
1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 61063795
1-(5-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949847
[1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105222035
1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
CID 116949282
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114330447
N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine
CID 105161960
1-(5-bromothiophen-2-yl)-N-methyldodecan-1-amine
CID 65447449
2-(4-bromophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031172
1-(3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065954

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 61065076) is 1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is OAWAZKAJQMGFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-3-5-11(6-4-10)9-12(16-2)13-7-8-14(15)17-13/h3-8,12,16H,9H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 61065076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).