2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol

C17H21NO2 — CID 11514583

IUPAC2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol
SMILESNC(CO)(CO)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c18-17(12-19,13-20)11-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,19-20H,10-13,18H2
InChIKeySACIGZDCEXUVJA-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.97
Rot. Bonds6

About 2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol

2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol (PubChem CID 11514583) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol
PubChem CID11514583
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol
SMILESNC(CO)(CO)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c18-17(12-19,13-20)11-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,19-20H,10-13,18H2
InChIKeySACIGZDCEXUVJA-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol (CID 11514583) is 2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol is NC(CO)(CO)CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol?
The InChIKey is SACIGZDCEXUVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c18-17(12-19,13-20)11-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,19-20H,10-13,18H2.
What are the key properties of 2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol?
2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol has a molecular weight of 271.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol is sourced from PubChem (CID 11514583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).