2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol

C15H25NO2 — CID 112553492

IUPAC2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol
SMILESCCC(C)N(CCOC)Cc1cccc(C)c1O
InChIInChI=1S/C15H25NO2/c1-5-13(3)16(9-10-18-4)11-14-8-6-7-12(2)15(14)17/h6-8,13,17H,5,9-11H2,1-4H3
InChIKeyLTUSGOMSHJFOHQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.95
Rot. Bonds7

About 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol (PubChem CID 112553492) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol
PubChem CID112553492
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol
SMILESCCC(C)N(CCOC)Cc1cccc(C)c1O
InChIInChI=1S/C15H25NO2/c1-5-13(3)16(9-10-18-4)11-14-8-6-7-12(2)15(14)17/h6-8,13,17H,5,9-11H2,1-4H3
InChIKeyLTUSGOMSHJFOHQ-UHFFFAOYSA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
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-hydroxyethyl(propan-2-yl)amino]methyl]-6-methylphenol
CID 115903809
2-chloro-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 112616395
N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55001040
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482555
2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 107740294
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol
CID 82956879
2-[4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenyl]acetic acid
CID 105345880
6-[[butan-2-yl(2-methoxyethyl)amino]methyl]pyridin-2-amine
CID 79244015
2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide
CID 112553358
1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol
CID 115281985
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methylphenol
CID 102999108
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 106906356

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol?
The IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol (CID 112553492) is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol?
The canonical SMILES for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol is CCC(C)N(CCOC)Cc1cccc(C)c1O.
What is the InChIKey of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol?
The InChIKey is LTUSGOMSHJFOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-13(3)16(9-10-18-4)11-14-8-6-7-12(2)15(14)17/h6-8,13,17H,5,9-11H2,1-4H3.
What are the key properties of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol?
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol has a molecular weight of 251.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol is sourced from PubChem (CID 112553492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).