2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol

C12H17BrClNOS — CID 102836063

IUPAC2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1cc(Br)c(Cl)s1
InChIInChI=1S/C12H17BrClNOS/c13-10-5-9(17-12(10)14)7-15-6-8-3-1-2-4-11(8)16/h5,8,11,15-16H,1-4,6-7H2
InChIKeyKEOCEEVPQLEJRV-UHFFFAOYSA-N
MW338.70 g/mol
LogP3.80
Rot. Bonds4

About 2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol

2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 102836063) has the molecular formula C12H17BrClNOS and a molecular weight of 338.70 g/mol. Its IUPAC name is 2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID102836063
Molecular FormulaC12H17BrClNOS
Molecular Weight338.70 g/mol
Exact Mass336.99
IUPAC Name2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1cc(Br)c(Cl)s1
InChIInChI=1S/C12H17BrClNOS/c13-10-5-9(17-12(10)14)7-15-6-8-3-1-2-4-11(8)16/h5,8,11,15-16H,1-4,6-7H2
InChIKeyKEOCEEVPQLEJRV-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.70
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962467
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine
CID 102835755
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 102835162
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-cyclopentylpropan-1-amine
CID 106007961
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine
CID 102835424
1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine
CID 102837218
2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 104879210
2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927098
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 102835909
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 102837874
2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 104879247
[1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 102837247

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol (CID 102836063) is 2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol is OC1CCCCC1CNCc1cc(Br)c(Cl)s1.
What is the InChIKey of 2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is KEOCEEVPQLEJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNOS/c13-10-5-9(17-12(10)14)7-15-6-8-3-1-2-4-11(8)16/h5,8,11,15-16H,1-4,6-7H2.
What are the key properties of 2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol?
2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 338.70 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 102836063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).