2-(ethylaminomethyl)-5-methoxyphenol

C10H15NO2 — CID 39257600

IUPAC2-(ethylaminomethyl)-5-methoxyphenol
SMILESCCNCc1ccc(OC)cc1O
InChIInChI=1S/C10H15NO2/c1-3-11-7-8-4-5-9(13-2)6-10(8)12/h4-6,11-12H,3,7H2,1-2H3
InChIKeyFSMRNIKSSKQHGB-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.51
Rot. Bonds4

About 2-(ethylaminomethyl)-5-methoxyphenol

2-(ethylaminomethyl)-5-methoxyphenol (PubChem CID 39257600) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-5-methoxyphenol.

Molecular Properties

Compound Name2-(ethylaminomethyl)-5-methoxyphenol
PubChem CID39257600
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(ethylaminomethyl)-5-methoxyphenol
SMILESCCNCc1ccc(OC)cc1O
InChIInChI=1S/C10H15NO2/c1-3-11-7-8-4-5-9(13-2)6-10(8)12/h4-6,11-12H,3,7H2,1-2H3
InChIKeyFSMRNIKSSKQHGB-UHFFFAOYSA-N
XLogP1.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.51
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-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 61262143
5-methoxy-2-propylphenol
CID 12836519
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604
2-[(2-ethoxypropylamino)methyl]-5-methoxyphenol
CID 115655741
N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide
CID 112688384
5-methoxy-2-[(4-methylpentylamino)methyl]phenol
CID 61263266
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876
2-[(4-hydroxypentylamino)methyl]-5-methoxyphenol
CID 107267668
5-methoxy-2-[(3-methylsulfonylpropylamino)methyl]phenol
CID 61262890

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-5-methoxyphenol?
The IUPAC name of 2-(ethylaminomethyl)-5-methoxyphenol (CID 39257600) is 2-(ethylaminomethyl)-5-methoxyphenol.
What is the SMILES notation for 2-(ethylaminomethyl)-5-methoxyphenol?
The canonical SMILES for 2-(ethylaminomethyl)-5-methoxyphenol is CCNCc1ccc(OC)cc1O.
What is the InChIKey of 2-(ethylaminomethyl)-5-methoxyphenol?
The InChIKey is FSMRNIKSSKQHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-11-7-8-4-5-9(13-2)6-10(8)12/h4-6,11-12H,3,7H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-5-methoxyphenol?
2-(ethylaminomethyl)-5-methoxyphenol has a molecular weight of 181.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-5-methoxyphenol is sourced from PubChem (CID 39257600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).