1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine

C11H15Br2NOS — CID 62213528

IUPAC1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1cc(Br)sc1Br)C1CCCCO1
InChIInChI=1S/C11H15Br2NOS/c1-14-10(8-4-2-3-5-15-8)7-6-9(12)16-11(7)13/h6,8,10,14H,2-5H2,1H3
InChIKeyCTTWRVVLSAVOGD-UHFFFAOYSA-N
MW369.12 g/mol
LogP4.10
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine

1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 62213528) has the molecular formula C11H15Br2NOS and a molecular weight of 369.12 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID62213528
Molecular FormulaC11H15Br2NOS
Molecular Weight369.12 g/mol
Exact Mass366.92
IUPAC Name1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1cc(Br)sc1Br)C1CCCCO1
InChIInChI=1S/C11H15Br2NOS/c1-14-10(8-4-2-3-5-15-8)7-6-9(12)16-11(7)13/h6,8,10,14H,2-5H2,1H3
InChIKeyCTTWRVVLSAVOGD-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine (CID 62213528) is 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine is CNC(c1cc(Br)sc1Br)C1CCCCO1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is CTTWRVVLSAVOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NOS/c1-14-10(8-4-2-3-5-15-8)7-6-9(12)16-11(7)13/h6,8,10,14H,2-5H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine?
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 369.12 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 62213528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).