(2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol

C19H25NO2 — CID 25271869

IUPAC(2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol
SMILESCC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3/t16-/m1/s1
InChIKeyDBHPVKNFKBKJCE-MRXNPFEDSA-N
MW299.41 g/mol
LogP3.48
Rot. Bonds6

About (2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol

(2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol (PubChem CID 25271869) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol
PubChem CID25271869
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol
SMILESCC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3/t16-/m1/s1
InChIKeyDBHPVKNFKBKJCE-MRXNPFEDSA-N
XLogP3.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol (CID 25271869) is (2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol is CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1.
What is the InChIKey of (2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol?
The InChIKey is DBHPVKNFKBKJCE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol?
(2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(tert-butylamino)-3-(2-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 25271869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).