1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine

C15H18BrNO3S — CID 105010857

IUPAC1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCNC(c1cc(OC)c(OC)c(OC)c1)c1cscc1Br
InChIInChI=1S/C15H18BrNO3S/c1-17-14(10-7-21-8-11(10)16)9-5-12(18-2)15(20-4)13(6-9)19-3/h5-8,14,17H,1-4H3
InChIKeyBCEFJWJCQPUCSW-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.85
Rot. Bonds6

About 1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine

1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 105010857) has the molecular formula C15H18BrNO3S and a molecular weight of 372.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID105010857
Molecular FormulaC15H18BrNO3S
Molecular Weight372.28 g/mol
Exact Mass371.02
IUPAC Name1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCNC(c1cc(OC)c(OC)c(OC)c1)c1cscc1Br
InChIInChI=1S/C15H18BrNO3S/c1-17-14(10-7-21-8-11(10)16)9-5-12(18-2)15(20-4)13(6-9)19-3/h5-8,14,17H,1-4H3
InChIKeyBCEFJWJCQPUCSW-UHFFFAOYSA-N
XLogP3.85
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromothiophen-3-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105010884
1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105010987
1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
CID 79595205
[(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105322605
N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105010666
1-(3-chlorothiophen-2-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 80529095
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116954412
N-[(3-bromo-4-methoxyphenyl)-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 105010525
1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 105010610
1-(4-bromothiophen-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 105010417
1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 115855639
1-(4-bromothiophen-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143794

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine (CID 105010857) is 1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine is CNC(c1cc(OC)c(OC)c(OC)c1)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is BCEFJWJCQPUCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3S/c1-17-14(10-7-21-8-11(10)16)9-5-12(18-2)15(20-4)13(6-9)19-3/h5-8,14,17H,1-4H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 372.28 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 105010857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).