2-[1-(1-methoxypropan-2-ylamino)propyl]phenol

C13H21NO2 — CID 43191890

IUPAC2-[1-(1-methoxypropan-2-ylamino)propyl]phenol
SMILESCCC(NC(C)COC)c1ccccc1O
InChIInChI=1S/C13H21NO2/c1-4-12(14-10(2)9-16-3)11-7-5-6-8-13(11)15/h5-8,10,12,14-15H,4,9H2,1-3H3
InChIKeyIBSWDDRGFXXXIS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.47
Rot. Bonds6

About 2-[1-(1-methoxypropan-2-ylamino)propyl]phenol

2-[1-(1-methoxypropan-2-ylamino)propyl]phenol (PubChem CID 43191890) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-(1-methoxypropan-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(1-methoxypropan-2-ylamino)propyl]phenol
PubChem CID43191890
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[1-(1-methoxypropan-2-ylamino)propyl]phenol
SMILESCCC(NC(C)COC)c1ccccc1O
InChIInChI=1S/C13H21NO2/c1-4-12(14-10(2)9-16-3)11-7-5-6-8-13(11)15/h5-8,10,12,14-15H,4,9H2,1-3H3
InChIKeyIBSWDDRGFXXXIS-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol
CID 61471961
2-[1-(heptan-2-ylamino)propyl]phenol
CID 43572696
2-[1-(methoxyamino)propyl]phenol
CID 82706320
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
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
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-(1-methoxypropan-2-ylamino)propyl]phenol?
The IUPAC name of 2-[1-(1-methoxypropan-2-ylamino)propyl]phenol (CID 43191890) is 2-[1-(1-methoxypropan-2-ylamino)propyl]phenol.
What is the SMILES notation for 2-[1-(1-methoxypropan-2-ylamino)propyl]phenol?
The canonical SMILES for 2-[1-(1-methoxypropan-2-ylamino)propyl]phenol is CCC(NC(C)COC)c1ccccc1O.
What is the InChIKey of 2-[1-(1-methoxypropan-2-ylamino)propyl]phenol?
The InChIKey is IBSWDDRGFXXXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-12(14-10(2)9-16-3)11-7-5-6-8-13(11)15/h5-8,10,12,14-15H,4,9H2,1-3H3.
What are the key properties of 2-[1-(1-methoxypropan-2-ylamino)propyl]phenol?
2-[1-(1-methoxypropan-2-ylamino)propyl]phenol has a molecular weight of 223.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methoxypropan-2-ylamino)propyl]phenol is sourced from PubChem (CID 43191890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).