1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine

C16H18BrNS — CID 105052155

IUPAC1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1C1CCC1)c1sccc1Br
InChIInChI=1S/C16H18BrNS/c1-18-15(16-14(17)9-10-19-16)13-8-3-2-7-12(13)11-5-4-6-11/h2-3,7-11,15,18H,4-6H2,1H3
InChIKeySYVSIMMPJVZVPT-UHFFFAOYSA-N
MW336.30 g/mol
LogP5.09
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine

1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine (PubChem CID 105052155) has the molecular formula C16H18BrNS and a molecular weight of 336.30 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
PubChem CID105052155
Molecular FormulaC16H18BrNS
Molecular Weight336.30 g/mol
Exact Mass335.03
IUPAC Name1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1C1CCC1)c1sccc1Br
InChIInChI=1S/C16H18BrNS/c1-18-15(16-14(17)9-10-19-16)13-8-3-2-7-12(13)11-5-4-6-11/h2-3,7-11,15,18H,4-6H2,1H3
InChIKeySYVSIMMPJVZVPT-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.30
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 114602530
N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105052183
1-(3-bromothiophen-2-yl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018139
1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 80534877
1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105188804
1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105052150
1-(2-cyclobutylphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105052188
1-(2-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 114602722
1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 114604500
1-(2-cyclobutylphenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 114604437
1-(2-cyclobutylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 114602735
1-(2-cyclobutylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 105188892

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine (CID 105052155) is 1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine is CNC(c1ccccc1C1CCC1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine?
The InChIKey is SYVSIMMPJVZVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNS/c1-18-15(16-14(17)9-10-19-16)13-8-3-2-7-12(13)11-5-4-6-11/h2-3,7-11,15,18H,4-6H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine?
1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine has a molecular weight of 336.30 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105052155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).