1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol

C12H20ClNOS — CID 115725070

IUPAC1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol
SMILESCCCCC(C)NCC(O)c1ccc(Cl)s1
InChIInChI=1S/C12H20ClNOS/c1-3-4-5-9(2)14-8-10(15)11-6-7-12(13)16-11/h6-7,9-10,14-15H,3-5,8H2,1-2H3
InChIKeyRVMBBGGMSRZGKR-UHFFFAOYSA-N
MW261.82 g/mol
LogP3.60
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol

1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol (PubChem CID 115725070) has the molecular formula C12H20ClNOS and a molecular weight of 261.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol
PubChem CID115725070
Molecular FormulaC12H20ClNOS
Molecular Weight261.82 g/mol
Exact Mass261.10
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol
SMILESCCCCC(C)NCC(O)c1ccc(Cl)s1
InChIInChI=1S/C12H20ClNOS/c1-3-4-5-9(2)14-8-10(15)11-6-7-12(13)16-11/h6-7,9-10,14-15H,3-5,8H2,1-2H3
InChIKeyRVMBBGGMSRZGKR-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
1-(5-chlorothiophen-2-yl)-3-(propylamino)propan-1-ol
CID 112509992
1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol
CID 61087799
2-(tert-butylamino)-1-(5-chlorothiophen-2-yl)ethanol
CID 3039980
2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63491374
1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
CID 115817545
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide
CID 82120398
1-butan-2-yl-3-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylguanidine;hydroiodide
CID 119139270
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
2-(nonan-2-ylamino)-1-phenylethanol
CID 43499169
1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine
CID 43496970
1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
CID 61088930

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol (CID 115725070) is 1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol is CCCCC(C)NCC(O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol?
The InChIKey is RVMBBGGMSRZGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNOS/c1-3-4-5-9(2)14-8-10(15)11-6-7-12(13)16-11/h6-7,9-10,14-15H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol?
1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol has a molecular weight of 261.82 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol is sourced from PubChem (CID 115725070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).