1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol

C14H16ClNOS — CID 81408060

IUPAC1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
SMILESC[C@H](NCC(O)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C14H16ClNOS/c1-10(14-7-4-8-18-14)16-9-13(17)11-5-2-3-6-12(11)15/h2-8,10,13,16-17H,9H2,1H3/t10-,13?/m0/s1
InChIKeyNAJUFNOHAQYCCJ-NKUHCKNESA-N
MW281.81 g/mol
LogP3.79
Rot. Bonds5

About 1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol

1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol (PubChem CID 81408060) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
PubChem CID81408060
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
SMILESC[C@H](NCC(O)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C14H16ClNOS/c1-10(14-7-4-8-18-14)16-9-13(17)11-5-2-3-6-12(11)15/h2-8,10,13,16-17H,9H2,1H3/t10-,13?/m0/s1
InChIKeyNAJUFNOHAQYCCJ-NKUHCKNESA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol with MolForge

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Related Compounds

1-(2-chlorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81409365
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408093
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398285
(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81377853
1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408941
sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
CID 173081164
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
1-(2-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54950007

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol (CID 81408060) is 1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol is C[C@H](NCC(O)c1ccccc1Cl)c1cccs1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol?
The InChIKey is NAJUFNOHAQYCCJ-NKUHCKNESA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-10(14-7-4-8-18-14)16-9-13(17)11-5-2-3-6-12(11)15/h2-8,10,13,16-17H,9H2,1H3/t10-,13?/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol?
1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol has a molecular weight of 281.81 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol is sourced from PubChem (CID 81408060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).