(2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol

C11H18N2O — CID 55295656

IUPAC(2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol
SMILESC[C@@](N)(CO)c1ccccc1CCN
InChIInChI=1S/C11H18N2O/c1-11(13,8-14)10-5-3-2-4-9(10)6-7-12/h2-5,14H,6-8,12-13H2,1H3/t11-/m1/s1
InChIKeyOSTBDTFTYNGWMM-LLVKDONJSA-N
MW194.28 g/mol
LogP0.35
Rot. Bonds4

About (2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol

(2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol (PubChem CID 55295656) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol
PubChem CID55295656
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol
SMILESC[C@@](N)(CO)c1ccccc1CCN
InChIInChI=1S/C11H18N2O/c1-11(13,8-14)10-5-3-2-4-9(10)6-7-12/h2-5,14H,6-8,12-13H2,1H3/t11-/m1/s1
InChIKeyOSTBDTFTYNGWMM-LLVKDONJSA-N
XLogP0.35
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol?
The IUPAC name of (2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol (CID 55295656) is (2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol is C[C@@](N)(CO)c1ccccc1CCN.
What is the InChIKey of (2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol?
The InChIKey is OSTBDTFTYNGWMM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(13,8-14)10-5-3-2-4-9(10)6-7-12/h2-5,14H,6-8,12-13H2,1H3/t11-/m1/s1.
What are the key properties of (2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol?
(2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol is sourced from PubChem (CID 55295656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).