[1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol

C13H19BrClNOS — CID 102837247

IUPAC[1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCc2cc(Br)c(Cl)s2)CCCCC1
InChIInChI=1S/C13H19BrClNOS/c14-11-6-10(18-12(11)15)7-16-8-13(9-17)4-2-1-3-5-13/h6,16-17H,1-5,7-9H2
InChIKeyMPQVGDGXPIAZBS-UHFFFAOYSA-N
MW352.73 g/mol
LogP4.20
Rot. Bonds5

About [1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol

[1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 102837247) has the molecular formula C13H19BrClNOS and a molecular weight of 352.73 g/mol. Its IUPAC name is [1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol
PubChem CID102837247
Molecular FormulaC13H19BrClNOS
Molecular Weight352.73 g/mol
Exact Mass351.01
IUPAC Name[1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCc2cc(Br)c(Cl)s2)CCCCC1
InChIInChI=1S/C13H19BrClNOS/c14-11-6-10(18-12(11)15)7-16-8-13(9-17)4-2-1-3-5-13/h6,16-17H,1-5,7-9H2
InChIKeyMPQVGDGXPIAZBS-UHFFFAOYSA-N
XLogP4.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 102836979
[1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358901
(3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol
CID 99833176
[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 103581870
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 102837609
1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 102836147
1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 102836156
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941
1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 102836123
1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine
CID 102836509
5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide
CID 112701033
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol (CID 102837247) is [1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol is OCC1(CNCc2cc(Br)c(Cl)s2)CCCCC1.
What is the InChIKey of [1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is MPQVGDGXPIAZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNOS/c14-11-6-10(18-12(11)15)7-16-8-13(9-17)4-2-1-3-5-13/h6,16-17H,1-5,7-9H2.
What are the key properties of [1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol?
[1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 352.73 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 102837247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).