(1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol

C17H21NO — CID 688271

IUPAC(1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol
SMILESCC(C)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H21NO/c1-13(2)18-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3/t16-,17+/m1/s1
InChIKeyILABSMRKFLZNPK-SJORKVTESA-N
MW255.36 g/mol
LogP3.46
Rot. Bonds5

About (1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol

(1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol (PubChem CID 688271) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name(1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol
PubChem CID688271
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol
SMILESCC(C)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H21NO/c1-13(2)18-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3/t16-,17+/m1/s1
InChIKeyILABSMRKFLZNPK-SJORKVTESA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol?
The IUPAC name of (1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol (CID 688271) is (1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for (1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol?
The canonical SMILES for (1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol is CC(C)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol?
The InChIKey is ILABSMRKFLZNPK-SJORKVTESA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)18-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3/t16-,17+/m1/s1.
What are the key properties of (1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol?
(1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol has a molecular weight of 255.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1,2-diphenyl-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 688271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).