(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol

C12H19NO2 — CID 843464

IUPAC(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COc1ccccc1
InChIInChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3/t11-/m1/s1
InChIKeyONXLHKFGTDDVLQ-LLVKDONJSA-N
MW209.29 g/mol
LogP1.42
Rot. Bonds6

About (2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol

(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 843464) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID843464
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COc1ccccc1
InChIInChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3/t11-/m1/s1
InChIKeyONXLHKFGTDDVLQ-LLVKDONJSA-N
XLogP1.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
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
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14099143
(2S,3S)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-methylpentanoic acid
CID 51412077
2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide
CID 54950769

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol (CID 843464) is (2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@@H](O)COc1ccccc1.
What is the InChIKey of (2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is ONXLHKFGTDDVLQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol?
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 843464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).