1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine

C14H16BrNOS — CID 102840619

IUPAC1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccc(Br)cc1OC)c1ccsc1C
InChIInChI=1S/C14H16BrNOS/c1-9-11(6-7-18-9)14(16-2)12-5-4-10(15)8-13(12)17-3/h4-8,14,16H,1-3H3
InChIKeySPPRJNGIDIVOIS-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.14
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine

1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (PubChem CID 102840619) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
PubChem CID102840619
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccc(Br)cc1OC)c1ccsc1C
InChIInChI=1S/C14H16BrNOS/c1-9-11(6-7-18-9)14(16-2)12-5-4-10(15)8-13(12)17-3/h4-8,14,16H,1-3H3
InChIKeySPPRJNGIDIVOIS-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841398
1-(4-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 115368972
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302420
1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841471
1-(4-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 115368891
1-(4-bromo-2-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115368888
1-(4-bromo-2,5-difluorophenyl)-1-(4-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 115368993
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107950679
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006891
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 113296174
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332307

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (CID 102840619) is 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is CNC(c1ccc(Br)cc1OC)c1ccsc1C.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The InChIKey is SPPRJNGIDIVOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-9-11(6-7-18-9)14(16-2)12-5-4-10(15)8-13(12)17-3/h4-8,14,16H,1-3H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine has a molecular weight of 326.26 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102840619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).