2-(4-amino-N-ethyl-3-propoxyanilino)ethanol

C13H22N2O2 — CID 63670341

IUPAC2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
SMILESCCCOc1cc(N(CC)CCO)ccc1N
InChIInChI=1S/C13H22N2O2/c1-3-9-17-13-10-11(5-6-12(13)14)15(4-2)7-8-16/h5-6,10,16H,3-4,7-9,14H2,1-2H3
InChIKeyQVXCFQSPKAHLHH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.88
Rot. Bonds7

About 2-(4-amino-N-ethyl-3-propoxyanilino)ethanol

2-(4-amino-N-ethyl-3-propoxyanilino)ethanol (PubChem CID 63670341) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(4-amino-N-ethyl-3-propoxyanilino)ethanol.

Molecular Properties

Compound Name2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
PubChem CID63670341
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
SMILESCCCOc1cc(N(CC)CCO)ccc1N
InChIInChI=1S/C13H22N2O2/c1-3-9-17-13-10-11(5-6-12(13)14)15(4-2)7-8-16/h5-6,10,16H,3-4,7-9,14H2,1-2H3
InChIKeyQVXCFQSPKAHLHH-UHFFFAOYSA-N
XLogP1.88
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine
CID 63695941
2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide
CID 63670160
2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol
CID 63676661
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
CID 63671140
2-(3-amino-N-ethyl-5-propoxyanilino)ethanol
CID 80731305
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol
CID 79588900
ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol
CID 142222447
4-N-(4-methoxyphenyl)-4-N-methyl-2-propoxybenzene-1,4-diamine
CID 63677320
2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol
CID 22026558
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
4-methyl-2-propoxyaniline
CID 24698653

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-ethyl-3-propoxyanilino)ethanol?
The IUPAC name of 2-(4-amino-N-ethyl-3-propoxyanilino)ethanol (CID 63670341) is 2-(4-amino-N-ethyl-3-propoxyanilino)ethanol.
What is the SMILES notation for 2-(4-amino-N-ethyl-3-propoxyanilino)ethanol?
The canonical SMILES for 2-(4-amino-N-ethyl-3-propoxyanilino)ethanol is CCCOc1cc(N(CC)CCO)ccc1N.
What is the InChIKey of 2-(4-amino-N-ethyl-3-propoxyanilino)ethanol?
The InChIKey is QVXCFQSPKAHLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-9-17-13-10-11(5-6-12(13)14)15(4-2)7-8-16/h5-6,10,16H,3-4,7-9,14H2,1-2H3.
What are the key properties of 2-(4-amino-N-ethyl-3-propoxyanilino)ethanol?
2-(4-amino-N-ethyl-3-propoxyanilino)ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-ethyl-3-propoxyanilino)ethanol is sourced from PubChem (CID 63670341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).