2-(1-aminopropyl)-4-methoxyphenol

C10H15NO2 — CID 19748508

IUPAC2-(1-aminopropyl)-4-methoxyphenol
SMILESCCC(N)c1cc(OC)ccc1O
InChIInChI=1S/C10H15NO2/c1-3-9(11)8-6-7(13-2)4-5-10(8)12/h4-6,9,12H,3,11H2,1-2H3
InChIKeyNBBHZBBXSIIXGL-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.81
Rot. Bonds3

About 2-(1-aminopropyl)-4-methoxyphenol

2-(1-aminopropyl)-4-methoxyphenol (PubChem CID 19748508) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(1-aminopropyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(1-aminopropyl)-4-methoxyphenol
PubChem CID19748508
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(1-aminopropyl)-4-methoxyphenol
SMILESCCC(N)c1cc(OC)ccc1O
InChIInChI=1S/C10H15NO2/c1-3-9(11)8-6-7(13-2)4-5-10(8)12/h4-6,9,12H,3,11H2,1-2H3
InChIKeyNBBHZBBXSIIXGL-UHFFFAOYSA-N
XLogP1.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.81
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-[(1S)-1-amino-2-fluoroethyl]-4-methoxyphenol
CID 130739611
2-(1,2-diaminoethyl)-4-methoxyphenol
CID 55282717
2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55264441
2-[(1S)-1-amino-3,3-difluoropropyl]-4-methoxyphenol;hydrochloride
CID 171312960
2-[(1R,2S)-1-amino-2-hydroxy-3-methylpentyl]-4-methoxyphenol
CID 171261862
2-[(1S)-1,5-diaminopentyl]-4-methoxyphenol
CID 171222237
2-[(1S)-1-amino-3-methylbut-3-enyl]-4-methoxyphenol;hydrochloride
CID 171222270
2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
CID 171202696
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
CID 171222254
2-[(1S,2R)-1-amino-2-hydroxypentyl]-4-methoxyphenol
CID 171267548
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol
CID 130612678

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-4-methoxyphenol?
The IUPAC name of 2-(1-aminopropyl)-4-methoxyphenol (CID 19748508) is 2-(1-aminopropyl)-4-methoxyphenol.
What is the SMILES notation for 2-(1-aminopropyl)-4-methoxyphenol?
The canonical SMILES for 2-(1-aminopropyl)-4-methoxyphenol is CCC(N)c1cc(OC)ccc1O.
What is the InChIKey of 2-(1-aminopropyl)-4-methoxyphenol?
The InChIKey is NBBHZBBXSIIXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-9(11)8-6-7(13-2)4-5-10(8)12/h4-6,9,12H,3,11H2,1-2H3.
What are the key properties of 2-(1-aminopropyl)-4-methoxyphenol?
2-(1-aminopropyl)-4-methoxyphenol has a molecular weight of 181.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-4-methoxyphenol is sourced from PubChem (CID 19748508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).