(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol

C12H20N2O2 — CID 91927663

IUPAC(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COc1ccc(N)cc1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-7-11(15)8-16-12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8,13H2,1-2H3/t11-/m1/s1
InChIKeyMBHQWSSJIBMVIA-LLVKDONJSA-N
MW224.30 g/mol
LogP1.01
Rot. Bonds6

About (2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol

(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 91927663) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID91927663
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COc1ccc(N)cc1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-7-11(15)8-16-12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8,13H2,1-2H3/t11-/m1/s1
InChIKeyMBHQWSSJIBMVIA-LLVKDONJSA-N
XLogP1.01
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol
CID 70528605
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
1-(propan-2-ylamino)-3-[4-(3-propan-2-yloxypropoxy)phenoxy]propan-2-ol
CID 177126524
(2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 12760476
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol (CID 91927663) is (2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@@H](O)COc1ccc(N)cc1.
What is the InChIKey of (2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is MBHQWSSJIBMVIA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)14-7-11(15)8-16-12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8,13H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol?
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 91927663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).