2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol

C13H20N2O — CID 78935565

IUPAC2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
SMILESC[C@@H](N)c1ccccc1N(CCO)C1CC1
InChIInChI=1S/C13H20N2O/c1-10(14)12-4-2-3-5-13(12)15(8-9-16)11-6-7-11/h2-5,10-11,16H,6-9,14H2,1H3/t10-/m1/s1
InChIKeyRMPAGLANWSAPMU-SNVBAGLBSA-N
MW220.32 g/mol
LogP1.67
Rot. Bonds5

About 2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol

2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol (PubChem CID 78935565) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
PubChem CID78935565
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
SMILESC[C@@H](N)c1ccccc1N(CCO)C1CC1
InChIInChI=1S/C13H20N2O/c1-10(14)12-4-2-3-5-13(12)15(8-9-16)11-6-7-11/h2-5,10-11,16H,6-9,14H2,1H3/t10-/m1/s1
InChIKeyRMPAGLANWSAPMU-SNVBAGLBSA-N
XLogP1.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78974160
2-[2-(1-aminopropyl)-N-cyclohexylanilino]ethanol
CID 115995044
2-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 78935268
2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol
CID 103958723
2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol
CID 112678034
2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 112678059
2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol
CID 78935304
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
2-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863551
2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863487

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol (CID 78935565) is 2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol is C[C@@H](N)c1ccccc1N(CCO)C1CC1.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol?
The InChIKey is RMPAGLANWSAPMU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(14)12-4-2-3-5-13(12)15(8-9-16)11-6-7-11/h2-5,10-11,16H,6-9,14H2,1H3/t10-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol?
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol is sourced from PubChem (CID 78935565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).