[4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine

C10H14BrNOS — CID 83845253

IUPAC[4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine
SMILESNCc1cc(Br)c(C2CCOCC2)s1
InChIInChI=1S/C10H14BrNOS/c11-9-5-8(6-12)14-10(9)7-1-3-13-4-2-7/h5,7H,1-4,6,12H2
InChIKeyLBPDSRSQHXMISR-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.86
Rot. Bonds2

About [4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine

[4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine (PubChem CID 83845253) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is [4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine
PubChem CID83845253
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name[4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine
SMILESNCc1cc(Br)c(C2CCOCC2)s1
InChIInChI=1S/C10H14BrNOS/c11-9-5-8(6-12)14-10(9)7-1-3-13-4-2-7/h5,7H,1-4,6,12H2
InChIKeyLBPDSRSQHXMISR-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-cyclobutylthiophen-2-yl)-N-methylmethanamine
CID 83844432
1-(4-bromo-5-cyclopentylthiophen-2-yl)-N-methylmethanamine
CID 83845191
[5-bromo-2-(oxan-4-ylsulfanyl)phenyl]methanamine
CID 114893852
(5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine
CID 139906329
1-[5-bromo-3-(oxan-4-yl)thiophen-2-yl]-N,N-dimethylmethanamine
CID 165400803
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 114115104
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine
CID 80727310
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 102835764
[5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine
CID 105448142
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 80728906
4-(4-bromofuran-3-yl)oxane
CID 82390774
methyl 2-bromo-5-(oxan-4-yl)-1,3-thiazole-4-carboxylate
CID 106510295

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine?
The IUPAC name of [4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine (CID 83845253) is [4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine.
What is the SMILES notation for [4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine?
The canonical SMILES for [4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine is NCc1cc(Br)c(C2CCOCC2)s1.
What is the InChIKey of [4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine?
The InChIKey is LBPDSRSQHXMISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-9-5-8(6-12)14-10(9)7-1-3-13-4-2-7/h5,7H,1-4,6,12H2.
What are the key properties of [4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine?
[4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine has a molecular weight of 276.20 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine is sourced from PubChem (CID 83845253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).