1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine

C12H18BrNOS — CID 102827463

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(c1cc(Br)c(C)s1)C1CCCOC1
InChIInChI=1S/C12H18BrNOS/c1-8-10(13)6-11(16-8)12(14-2)9-4-3-5-15-7-9/h6,9,12,14H,3-5,7H2,1-2H3
InChIKeyRQVZBHJWEPVKSI-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.51
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine

1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 102827463) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID102827463
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(c1cc(Br)c(C)s1)C1CCCOC1
InChIInChI=1S/C12H18BrNOS/c1-8-10(13)6-11(16-8)12(14-2)9-4-3-5-15-7-9/h6,9,12,14H,3-5,7H2,1-2H3
InChIKeyRQVZBHJWEPVKSI-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(4-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 102827331
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107178270
N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine
CID 107139171
1-(2-bromo-3-methylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 114024257
1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107136699
1-cyclohexyl-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 114981123
3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene
CID 102835800
1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine
CID 79991112
N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 63012396
(4,5-dibromothiophen-2-yl)-(oxan-3-yl)methanol
CID 80535369
1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 102827282
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine
CID 114729155

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine (CID 102827463) is 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine is CNC(c1cc(Br)c(C)s1)C1CCCOC1.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is RQVZBHJWEPVKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-8-10(13)6-11(16-8)12(14-2)9-4-3-5-15-7-9/h6,9,12,14H,3-5,7H2,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine?
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 304.25 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 102827463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).