4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol

C15H25BrN2O2S — CID 114948344

IUPAC4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol
SMILESCCC(N)C(c1cc(Br)cs1)N(C)CC1(O)CCOCC1
InChIInChI=1S/C15H25BrN2O2S/c1-3-12(17)14(13-8-11(16)9-21-13)18(2)10-15(19)4-6-20-7-5-15/h8-9,12,14,19H,3-7,10,17H2,1-2H3
InChIKeyOOXFYCCBVSSTPB-UHFFFAOYSA-N
MW377.35 g/mol
LogP2.76
Rot. Bonds6

About 4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol

4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol (PubChem CID 114948344) 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]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol
PubChem CID114948344
Molecular FormulaC15H25BrN2O2S
Molecular Weight377.35 g/mol
Exact Mass376.08
IUPAC Name4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol
SMILESCCC(N)C(c1cc(Br)cs1)N(C)CC1(O)CCOCC1
InChIInChI=1S/C15H25BrN2O2S/c1-3-12(17)14(13-8-11(16)9-21-13)18(2)10-15(19)4-6-20-7-5-15/h8-9,12,14,19H,3-7,10,17H2,1-2H3
InChIKeyOOXFYCCBVSSTPB-UHFFFAOYSA-N
XLogP2.76
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

Analyze 4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948208
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81058663
4-[[[2-amino-1-(5-chlorothiophen-2-yl)propyl]-methylamino]methyl]oxan-4-ol
CID 114948480
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62546211
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(3-methylcyclohexyl)butane-1,2-diamine
CID 63404028
4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol
CID 114948515
4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol
CID 114948474
3-bromo-5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105336754
2-[2-[[2-amino-1-(4-bromothiophen-2-yl)propyl]-methylamino]ethoxy]ethanol
CID 114243019
[3-[(4-bromothiophen-2-yl)-(dimethylamino)methyl]oxetan-3-yl]methanol
CID 116912982
4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 104985437
4-[[1-(3-aminophenyl)ethyl-methylamino]methyl]oxan-4-ol
CID 114948472

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol (CID 114948344) is 4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol is CCC(N)C(c1cc(Br)cs1)N(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol?
The InChIKey is OOXFYCCBVSSTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2S/c1-3-12(17)14(13-8-11(16)9-21-13)18(2)10-15(19)4-6-20-7-5-15/h8-9,12,14,19H,3-7,10,17H2,1-2H3.
What are the key properties of 4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol?
4-[[[2-amino-1-(4-bromothiophen-2-yl)butyl]-methylamino]methyl]oxan-4-ol has a molecular weight of 377.35 g/mol, XLogP of 2.76, 6 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]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114948344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).