2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol

C14H18N2O2S — CID 18798861

IUPAC2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol
SMILESNc1ccc(N(CCO)CCO)cc1-c1cccs1
InChIInChI=1S/C14H18N2O2S/c15-13-4-3-11(16(5-7-17)6-8-18)10-12(13)14-2-1-9-19-14/h1-4,9-10,17-18H,5-8,15H2
InChIKeyPIMRFQUNKHKKSV-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.79
Rot. Bonds6

About 2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol

2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol (PubChem CID 18798861) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol
PubChem CID18798861
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol
SMILESNc1ccc(N(CCO)CCO)cc1-c1cccs1
InChIInChI=1S/C14H18N2O2S/c15-13-4-3-11(16(5-7-17)6-8-18)10-12(13)14-2-1-9-19-14/h1-4,9-10,17-18H,5-8,15H2
InChIKeyPIMRFQUNKHKKSV-UHFFFAOYSA-N
XLogP1.79
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea
CID 47088383
2-methyl-5-(morpholin-4-ylmethyl)-N-(thiophen-3-ylmethyl)aniline
CID 75385498
2-[[5-[(2,3-Difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol
CID 90767233
2-[4-(N,N-di(2-hydroxyethyl)-amino)-phenylazo]-3,4-dibutylthiophene
CID 129865743
N'-[1-[3-(2-hydroxyethylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide
CID 25014874
4-N-methyl-4-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43527369
4-N-methyl-4-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43528044
1-(2-Hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 49627419
1-N-methyl-1-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935621
1-N-methyl-1-N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935622
2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 55229081
2-(difluoromethyl)-1-N-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 55229461

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol?
The IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol (CID 18798861) is 2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol?
The canonical SMILES for 2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol is Nc1ccc(N(CCO)CCO)cc1-c1cccs1.
What is the InChIKey of 2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol?
The InChIKey is PIMRFQUNKHKKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c15-13-4-3-11(16(5-7-17)6-8-18)10-12(13)14-2-1-9-19-14/h1-4,9-10,17-18H,5-8,15H2.
What are the key properties of 2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol?
2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol has a molecular weight of 278.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol is sourced from PubChem (CID 18798861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).