2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride

C13H17ClN2OS — CID 22486457

IUPAC2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride
SMILESCl.Nc1ccc(NCc2cccs2)c(CCO)c1
InChIInChI=1S/C13H16N2OS.ClH/c14-11-3-4-13(10(8-11)5-6-16)15-9-12-2-1-7-17-12;/h1-4,7-8,15-16H,5-6,9,14H2;1H
InChIKeyYWPGSYAPYAQMLI-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.90
Rot. Bonds5

About 2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride

2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride (PubChem CID 22486457) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride
PubChem CID22486457
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride
SMILESCl.Nc1ccc(NCc2cccs2)c(CCO)c1
InChIInChI=1S/C13H16N2OS.ClH/c14-11-3-4-13(10(8-11)5-6-16)15-9-12-2-1-7-17-12;/h1-4,7-8,15-16H,5-6,9,14H2;1H
InChIKeyYWPGSYAPYAQMLI-UHFFFAOYSA-N
XLogP2.90
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 43173657
4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol
CID 23437250
2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol
CID 23440231
3-chloro-4-(thiophen-2-ylmethylamino)benzenecarbothioamide
CID 63086944
N-(4-amino-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 16783810
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
3-fluoro-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 60788587
[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol
CID 115877219
2-[2-(thiophen-2-ylmethyl)phenyl]ethanol
CID 11252951
5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63115689
2-(2,5-diaminophenyl)ethanol
CID 160672831
4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43227956

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride?
The IUPAC name of 2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride (CID 22486457) is 2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride.
What is the SMILES notation for 2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride?
The canonical SMILES for 2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride is Cl.Nc1ccc(NCc2cccs2)c(CCO)c1.
What is the InChIKey of 2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride?
The InChIKey is YWPGSYAPYAQMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS.ClH/c14-11-3-4-13(10(8-11)5-6-16)15-9-12-2-1-7-17-12;/h1-4,7-8,15-16H,5-6,9,14H2;1H.
What are the key properties of 2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride?
2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride has a molecular weight of 284.81 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 22486457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).