4-[1-(2-methylpropoxyamino)propyl]phenol

C13H21NO2 — CID 82710260

IUPAC4-[1-(2-methylpropoxyamino)propyl]phenol
SMILESCCC(NOCC(C)C)c1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-4-13(14-16-9-10(2)3)11-5-7-12(15)8-6-11/h5-8,10,13-15H,4,9H2,1-3H3
InChIKeyXSBJAUBEFILGDZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.02
Rot. Bonds6

About 4-[1-(2-methylpropoxyamino)propyl]phenol

4-[1-(2-methylpropoxyamino)propyl]phenol (PubChem CID 82710260) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[1-(2-methylpropoxyamino)propyl]phenol.

Molecular Properties

Compound Name4-[1-(2-methylpropoxyamino)propyl]phenol
PubChem CID82710260
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[1-(2-methylpropoxyamino)propyl]phenol
SMILESCCC(NOCC(C)C)c1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-4-13(14-16-9-10(2)3)11-5-7-12(15)8-6-11/h5-8,10,13-15H,4,9H2,1-3H3
InChIKeyXSBJAUBEFILGDZ-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
4-[1-(ethoxyamino)ethyl]phenol
CID 82709636
4-[1-(2,2-dimethylhydrazinyl)propyl]phenol
CID 83005849
4-[1-(2,2-dimethoxyethylamino)propyl]phenol
CID 54921747
4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
2-[1-(4-hydroxyphenyl)propylamino]propanoic acid
CID 61499813
N-(2-methylpropoxy)-1-(3-nitrophenyl)propan-1-amine
CID 82709613
1-(4-bromophenyl)-N-ethoxypropan-1-amine
CID 80712261
4-(4-methylhexan-3-yl)phenol
CID 123259382
4-[1-(1-thiophen-3-ylethylamino)propyl]phenol
CID 62840966
1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine
CID 82710974

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylpropoxyamino)propyl]phenol?
The IUPAC name of 4-[1-(2-methylpropoxyamino)propyl]phenol (CID 82710260) is 4-[1-(2-methylpropoxyamino)propyl]phenol.
What is the SMILES notation for 4-[1-(2-methylpropoxyamino)propyl]phenol?
The canonical SMILES for 4-[1-(2-methylpropoxyamino)propyl]phenol is CCC(NOCC(C)C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(2-methylpropoxyamino)propyl]phenol?
The InChIKey is XSBJAUBEFILGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-13(14-16-9-10(2)3)11-5-7-12(15)8-6-11/h5-8,10,13-15H,4,9H2,1-3H3.
What are the key properties of 4-[1-(2-methylpropoxyamino)propyl]phenol?
4-[1-(2-methylpropoxyamino)propyl]phenol has a molecular weight of 223.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylpropoxyamino)propyl]phenol is sourced from PubChem (CID 82710260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).