1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol

C16H20ClNOS — CID 80526598

IUPAC1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol
SMILESCC(C)(CNCC(O)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C16H20ClNOS/c1-16(2,15-8-5-9-20-15)11-18-10-14(19)12-6-3-4-7-13(12)17/h3-9,14,18-19H,10-11H2,1-2H3
InChIKeyHHUVUMDCJYMBHI-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.00
Rot. Bonds6

About 1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol

1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol (PubChem CID 80526598) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol
PubChem CID80526598
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol
SMILESCC(C)(CNCC(O)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C16H20ClNOS/c1-16(2,15-8-5-9-20-15)11-18-10-14(19)12-6-3-4-7-13(12)17/h3-9,14,18-19H,10-11H2,1-2H3
InChIKeyHHUVUMDCJYMBHI-UHFFFAOYSA-N
XLogP4.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol
CID 80526374
4-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutan-1-ol
CID 106146601
4-[1-hydroxy-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile
CID 80526804
1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol
CID 80526691
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247006
1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408060
1-(2-chlorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81409365
N-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetamide
CID 80526835
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
2-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]butanoic acid
CID 115250143

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol (CID 80526598) is 1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol is CC(C)(CNCC(O)c1ccccc1Cl)c1cccs1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol?
The InChIKey is HHUVUMDCJYMBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-16(2,15-8-5-9-20-15)11-18-10-14(19)12-6-3-4-7-13(12)17/h3-9,14,18-19H,10-11H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol?
1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol has a molecular weight of 309.86 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol is sourced from PubChem (CID 80526598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).