1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine

C14H15BrClNO2S — CID 80531246

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)c(Br)s1)c1ccc(OC)cc1OC
InChIInChI=1S/C14H15BrClNO2S/c1-17-13(12-7-10(16)14(15)20-12)9-5-4-8(18-2)6-11(9)19-3/h4-7,13,17H,1-3H3
InChIKeyXAIMVRPMDQTAJZ-UHFFFAOYSA-N
MW376.70 g/mol
LogP4.49
Rot. Bonds5

About 1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine

1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 80531246) has the molecular formula C14H15BrClNO2S and a molecular weight of 376.70 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
PubChem CID80531246
Molecular FormulaC14H15BrClNO2S
Molecular Weight376.70 g/mol
Exact Mass374.97
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)c(Br)s1)c1ccc(OC)cc1OC
InChIInChI=1S/C14H15BrClNO2S/c1-17-13(12-7-10(16)14(15)20-12)9-5-4-8(18-2)6-11(9)19-3/h4-7,13,17H,1-3H3
InChIKeyXAIMVRPMDQTAJZ-UHFFFAOYSA-N
XLogP4.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.70
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 80530702
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine
CID 80530686
1-(5-bromo-4-chlorothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 80530820
1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 62278586
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 80531204
1-(3-chloro-4-methylphenyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 63194662
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628654
1-(2,4-dimethoxyphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81156413
N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490698
[(4-bromo-3-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]hydrazine
CID 105304535
1-(5-bromo-4-chlorothiophen-2-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 80531186
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine (CID 80531246) is 1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine is CNC(c1cc(Cl)c(Br)s1)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is XAIMVRPMDQTAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2S/c1-17-13(12-7-10(16)14(15)20-12)9-5-4-8(18-2)6-11(9)19-3/h4-7,13,17H,1-3H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 376.70 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 80531246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).