1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine

C14H23BrN2OS — CID 104957855

IUPAC1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine
SMILESCCC(N)C(c1cc(Br)cs1)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H23BrN2OS/c1-4-12(16)14(13-5-11(15)8-19-13)17-6-9(2)18-10(3)7-17/h5,8-10,12,14H,4,6-7,16H2,1-3H3/t9-,10+,12?,14?
InChIKeyOXWLDGXSXUHVIP-CNGMEFBOSA-N
MW347.32 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine

1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine (PubChem CID 104957855) has the molecular formula C14H23BrN2OS and a molecular weight of 347.32 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine
PubChem CID104957855
Molecular FormulaC14H23BrN2OS
Molecular Weight347.32 g/mol
Exact Mass346.07
IUPAC Name1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine
SMILESCCC(N)C(c1cc(Br)cs1)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H23BrN2OS/c1-4-12(16)14(13-5-11(15)8-19-13)17-6-9(2)18-10(3)7-17/h5,8-10,12,14H,4,6-7,16H2,1-3H3/t9-,10+,12?,14?
InChIKeyOXWLDGXSXUHVIP-CNGMEFBOSA-N
XLogP3.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine (CID 104957855) is 1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine is CCC(N)C(c1cc(Br)cs1)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine?
The InChIKey is OXWLDGXSXUHVIP-CNGMEFBOSA-N. The full InChI is InChI=1S/C14H23BrN2OS/c1-4-12(16)14(13-5-11(15)8-19-13)17-6-9(2)18-10(3)7-17/h5,8-10,12,14H,4,6-7,16H2,1-3H3/t9-,10+,12?,14?.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine?
1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine has a molecular weight of 347.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine is sourced from PubChem (CID 104957855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).