2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol

C13H22N2O — CID 78935304

IUPAC2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol
SMILESCC(C)N(CCO)c1ccccc1[C@@H](C)N
InChIInChI=1S/C13H22N2O/c1-10(2)15(8-9-16)13-7-5-4-6-12(13)11(3)14/h4-7,10-11,16H,8-9,14H2,1-3H3/t11-/m1/s1
InChIKeyJVQPMUJSTWZILH-LLVKDONJSA-N
MW222.33 g/mol
LogP1.91
Rot. Bonds5

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

2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol (PubChem CID 78935304) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol
PubChem CID78935304
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol
SMILESCC(C)N(CCO)c1ccccc1[C@@H](C)N
InChIInChI=1S/C13H22N2O/c1-10(2)15(8-9-16)13-7-5-4-6-12(13)11(3)14/h4-7,10-11,16H,8-9,14H2,1-3H3/t11-/m1/s1
InChIKeyJVQPMUJSTWZILH-LLVKDONJSA-N
XLogP1.91
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(1S)-1-aminoethyl]-N-propan-2-ylanilino]propan-1-ol
CID 78935229
2-(1-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 43269689
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480549
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
2-(1-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)aniline
CID 55010184
3-[2-[(1R)-1-aminoethyl]-4-fluoro-N-propan-2-ylanilino]propan-1-ol
CID 63368684
(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
CID 78939531

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol (CID 78935304) is 2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol is CC(C)N(CCO)c1ccccc1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol?
The InChIKey is JVQPMUJSTWZILH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)15(8-9-16)13-7-5-4-6-12(13)11(3)14/h4-7,10-11,16H,8-9,14H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol?
2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol has a molecular weight of 222.33 g/mol, XLogP of 1.91, 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-propan-2-ylanilino]ethanol is sourced from PubChem (CID 78935304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).