2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol

C12H19NO2 — CID 114983222

IUPAC2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
SMILESCCC(N[C@H](C)CO)c1ccccc1O
InChIInChI=1S/C12H19NO2/c1-3-11(13-9(2)8-14)10-6-4-5-7-12(10)15/h4-7,9,11,13-15H,3,8H2,1-2H3/t9-,11?/m1/s1
InChIKeyYWQZBLCLTGPWSI-BFHBGLAWSA-N
MW209.29 g/mol
LogP1.81
Rot. Bonds5

About 2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol

2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol (PubChem CID 114983222) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
PubChem CID114983222
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
SMILESCCC(N[C@H](C)CO)c1ccccc1O
InChIInChI=1S/C12H19NO2/c1-3-11(13-9(2)8-14)10-6-4-5-7-12(10)15/h4-7,9,11,13-15H,3,8H2,1-2H3/t9-,11?/m1/s1
InChIKeyYWQZBLCLTGPWSI-BFHBGLAWSA-N
XLogP1.81
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
CID 103778600
2-[1-(1-methoxypropan-2-ylamino)propyl]phenol
CID 43191890
2-[1-(heptan-2-ylamino)propyl]phenol
CID 43572696
2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol
CID 61471961
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
2-[1-(methylamino)propyl]phenol
CID 12862798
2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
CID 81377530
2-[1-(2-hydroxyphenyl)propylamino]propanamide
CID 43545377
(2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol
CID 99636952
2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81356961
2-[1-(pent-1-yn-3-ylamino)propyl]phenol
CID 106225526

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol?
The IUPAC name of 2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol (CID 114983222) is 2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol.
What is the SMILES notation for 2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol?
The canonical SMILES for 2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol is CCC(N[C@H](C)CO)c1ccccc1O.
What is the InChIKey of 2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol?
The InChIKey is YWQZBLCLTGPWSI-BFHBGLAWSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-11(13-9(2)8-14)10-6-4-5-7-12(10)15/h4-7,9,11,13-15H,3,8H2,1-2H3/t9-,11?/m1/s1.
What are the key properties of 2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol?
2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol has a molecular weight of 209.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol is sourced from PubChem (CID 114983222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).