3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol

C13H20ClNOS — CID 103785821

IUPAC3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCC(O)C1)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNOS/c1-9(12-5-6-13(14)17-12)15-8-10-3-2-4-11(16)7-10/h5-6,9-11,15-16H,2-4,7-8H2,1H3
InChIKeyZTFUSLUCHINWAV-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.60
Rot. Bonds4

About 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol

3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 103785821) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID103785821
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCC(O)C1)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNOS/c1-9(12-5-6-13(14)17-12)15-8-10-3-2-4-11(16)7-10/h5-6,9-11,15-16H,2-4,7-8H2,1H3
InChIKeyZTFUSLUCHINWAV-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

cis-(1S,3R)-3-[[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 97322838
3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 106124333
2-[1-[(3-hydroxycyclohexyl)methylamino]ethyl]benzene-1,3-diol
CID 106124250
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271482
1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine
CID 115713294
3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785848
3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785809
3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol
CID 115677296
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 103917562
3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785946
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol (CID 103785821) is 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol is CC(NCC1CCCC(O)C1)c1ccc(Cl)s1.
What is the InChIKey of 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is ZTFUSLUCHINWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-9(12-5-6-13(14)17-12)15-8-10-3-2-4-11(16)7-10/h5-6,9-11,15-16H,2-4,7-8H2,1H3.
What are the key properties of 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol?
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 273.83 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103785821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).