1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol

C13H19NO2 — CID 173469571

IUPAC1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol
SMILESC[C@@H](Nc1ccccc1C(O)CO)C1CC1
InChIInChI=1S/C13H19NO2/c1-9(10-6-7-10)14-12-5-3-2-4-11(12)13(16)8-15/h2-5,9-10,13-16H,6-8H2,1H3/t9-,13?/m1/s1
InChIKeyIJNWIVZLJORREM-CGCSKFHYSA-N
MW221.30 g/mol
LogP1.92
Rot. Bonds5

About 1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol

1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol (PubChem CID 173469571) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol
PubChem CID173469571
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol
SMILESC[C@@H](Nc1ccccc1C(O)CO)C1CC1
InChIInChI=1S/C13H19NO2/c1-9(10-6-7-10)14-12-5-3-2-4-11(12)13(16)8-15/h2-5,9-10,13-16H,6-8H2,1H3/t9-,13?/m1/s1
InChIKeyIJNWIVZLJORREM-CGCSKFHYSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol?
The IUPAC name of 1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol (CID 173469571) is 1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol is C[C@@H](Nc1ccccc1C(O)CO)C1CC1.
What is the InChIKey of 1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol?
The InChIKey is IJNWIVZLJORREM-CGCSKFHYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(10-6-7-10)14-12-5-3-2-4-11(12)13(16)8-15/h2-5,9-10,13-16H,6-8H2,1H3/t9-,13?/m1/s1.
What are the key properties of 1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol?
1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol has a molecular weight of 221.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol is sourced from PubChem (CID 173469571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).