2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol

C13H21NO2 — CID 43205159

IUPAC2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
SMILESCOCCCNC(C)c1ccc(C)cc1O
InChIInChI=1S/C13H21NO2/c1-10-5-6-12(13(15)9-10)11(2)14-7-4-8-16-3/h5-6,9,11,14-15H,4,7-8H2,1-3H3
InChIKeyKKBUCUXCWLPMDN-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.39
Rot. Bonds6

About 2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol

2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol (PubChem CID 43205159) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
PubChem CID43205159
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
SMILESCOCCCNC(C)c1ccc(C)cc1O
InChIInChI=1S/C13H21NO2/c1-10-5-6-12(13(15)9-10)11(2)14-7-4-8-16-3/h5-6,9,11,14-15H,4,7-8H2,1-3H3
InChIKeyKKBUCUXCWLPMDN-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol
CID 104582144
5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol
CID 43205853
2-[1-(4-aminobutylamino)ethyl]-5-methylphenol
CID 60895616
2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
CID 107303108
5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol
CID 104582004
5-methyl-2-[1-(6-methylsulfanylhexylamino)ethyl]phenol
CID 104584212
2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol
CID 104582510
2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol
CID 104583457
5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol
CID 43205737
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
CID 43553192
2-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]ethyl]-5-methylphenol
CID 104581513

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol?
The IUPAC name of 2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol (CID 43205159) is 2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol is COCCCNC(C)c1ccc(C)cc1O.
What is the InChIKey of 2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol?
The InChIKey is KKBUCUXCWLPMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-5-6-12(13(15)9-10)11(2)14-7-4-8-16-3/h5-6,9,11,14-15H,4,7-8H2,1-3H3.
What are the key properties of 2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol?
2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol has a molecular weight of 223.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol is sourced from PubChem (CID 43205159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).