[4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol

C15H25BrN2O2S — CID 114776331

IUPAC[4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCC(N)C(c1cc(Br)cs1)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C15H25BrN2O2S/c1-4-12(17)14(13-5-10(16)8-21-13)18-6-11(7-19)20-15(2,3)9-18/h5,8,11-12,14,19H,4,6-7,9,17H2,1-3H3
InChIKeyIZKNKCFDYFFTIO-UHFFFAOYSA-N
MW377.35 g/mol
LogP2.76
Rot. Bonds5

About [4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114776331) has the molecular formula C15H25BrN2O2S and a molecular weight of 377.35 g/mol. Its IUPAC name is [4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114776331
Molecular FormulaC15H25BrN2O2S
Molecular Weight377.35 g/mol
Exact Mass376.08
IUPAC Name[4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCC(N)C(c1cc(Br)cs1)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C15H25BrN2O2S/c1-4-12(17)14(13-5-10(16)8-21-13)18-6-11(7-19)20-15(2,3)9-18/h5,8,11-12,14,19H,4,6-7,9,17H2,1-3H3
InChIKeyIZKNKCFDYFFTIO-UHFFFAOYSA-N
XLogP2.76
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-amino-1-(4-bromothiophen-2-yl)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776410
[4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776411
1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine
CID 104957855
1-(4-bromothiophen-2-yl)-1-(3,4,5-trimethylpiperazin-1-yl)butan-2-amine
CID 114537167
1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol
CID 62941141
[4-[2-amino-1-(4-bromothiophen-2-yl)propyl]-6-methylmorpholin-2-yl]methanol
CID 102932204
1-(4-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)butan-2-amine
CID 62774399
1-(4-bromothiophen-2-yl)-1-(4-methylazepan-1-yl)butan-2-amine
CID 63624050
[1-[2-amino-1-(4-bromothiophen-2-yl)butyl]azepan-2-yl]methanol
CID 116634116
(6,6-dimethyl-4-pentan-2-ylmorpholin-2-yl)methanol
CID 107886053
[4-[2-amino-1-(4-bromothiophen-2-yl)propyl]-5-methylmorpholin-2-yl]methanol
CID 81202815
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide
CID 104969817

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114776331) is [4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol is CCC(N)C(c1cc(Br)cs1)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of [4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is IZKNKCFDYFFTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2S/c1-4-12(17)14(13-5-10(16)8-21-13)18-6-11(7-19)20-15(2,3)9-18/h5,8,11-12,14,19H,4,6-7,9,17H2,1-3H3.
What are the key properties of [4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 377.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114776331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).