2-[1-(butylamino)ethyl]-5-methoxyphenol

C13H21NO2 — CID 43200995

IUPAC2-[1-(butylamino)ethyl]-5-methoxyphenol
SMILESCCCCNC(C)c1ccc(OC)cc1O
InChIInChI=1S/C13H21NO2/c1-4-5-8-14-10(2)12-7-6-11(16-3)9-13(12)15/h6-7,9-10,14-15H,4-5,8H2,1-3H3
InChIKeyZSYKTTGMMFNADV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.85
Rot. Bonds6

About 2-[1-(butylamino)ethyl]-5-methoxyphenol

2-[1-(butylamino)ethyl]-5-methoxyphenol (PubChem CID 43200995) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-(butylamino)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(butylamino)ethyl]-5-methoxyphenol
PubChem CID43200995
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[1-(butylamino)ethyl]-5-methoxyphenol
SMILESCCCCNC(C)c1ccc(OC)cc1O
InChIInChI=1S/C13H21NO2/c1-4-5-8-14-10(2)12-7-6-11(16-3)9-13(12)15/h6-7,9-10,14-15H,4-5,8H2,1-3H3
InChIKeyZSYKTTGMMFNADV-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120
2-[1-(4-aminobutylamino)ethyl]-5-methoxyphenol
CID 60893810
2-[1-(hex-5-ynylamino)ethyl]-5-methoxyphenol
CID 104583385
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol
CID 104582210
2-[1-(hexan-2-ylamino)ethyl]-5-methoxyphenol
CID 62196423
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 60903278
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
5-methoxy-2-[(pentylamino)-phenylmethyl]phenol
CID 43824880
5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
CID 43201413
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873

Frequently Asked Questions

What is the IUPAC name of 2-[1-(butylamino)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(butylamino)ethyl]-5-methoxyphenol (CID 43200995) is 2-[1-(butylamino)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(butylamino)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(butylamino)ethyl]-5-methoxyphenol is CCCCNC(C)c1ccc(OC)cc1O.
What is the InChIKey of 2-[1-(butylamino)ethyl]-5-methoxyphenol?
The InChIKey is ZSYKTTGMMFNADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-5-8-14-10(2)12-7-6-11(16-3)9-13(12)15/h6-7,9-10,14-15H,4-5,8H2,1-3H3.
What are the key properties of 2-[1-(butylamino)ethyl]-5-methoxyphenol?
2-[1-(butylamino)ethyl]-5-methoxyphenol has a molecular weight of 223.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(butylamino)ethyl]-5-methoxyphenol is sourced from PubChem (CID 43200995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).