2-(butylaminomethyl)-6-methylphenol

C12H19NO — CID 82669937

IUPAC2-(butylaminomethyl)-6-methylphenol
SMILESCCCCNCc1cccc(C)c1O
InChIInChI=1S/C12H19NO/c1-3-4-8-13-9-11-7-5-6-10(2)12(11)14/h5-7,13-14H,3-4,8-9H2,1-2H3
InChIKeyCRDPUSMBMFKETJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.59
Rot. Bonds5

About 2-(butylaminomethyl)-6-methylphenol

2-(butylaminomethyl)-6-methylphenol (PubChem CID 82669937) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(butylaminomethyl)-6-methylphenol.

Molecular Properties

Compound Name2-(butylaminomethyl)-6-methylphenol
PubChem CID82669937
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(butylaminomethyl)-6-methylphenol
SMILESCCCCNCc1cccc(C)c1O
InChIInChI=1S/C12H19NO/c1-3-4-8-13-9-11-7-5-6-10(2)12(11)14/h5-7,13-14H,3-4,8-9H2,1-2H3
InChIKeyCRDPUSMBMFKETJ-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(butylaminomethyl)-6-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-[(3-methylsulfinylpropylamino)methyl]phenol
CID 115907587
2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 112553913
3-[(2-hydroxy-3-methylphenyl)methylamino]propanoic acid
CID 112606379
2-methyl-6-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
CID 115924245
2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol
CID 112554384
N-[(2-methylphenyl)methyl]dodecan-1-amine
CID 60663920
2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol
CID 112554057
2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
CID 112554008
2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
CID 115908380
2-methyl-6-undecylphenol
CID 174998801
3-[[2-(2-methylphenyl)ethylamino]methyl]benzene-1,2-diol
CID 79762957
2-butyl-6-methylphenol;2-methylaniline
CID 70417016

Frequently Asked Questions

What is the IUPAC name of 2-(butylaminomethyl)-6-methylphenol?
The IUPAC name of 2-(butylaminomethyl)-6-methylphenol (CID 82669937) is 2-(butylaminomethyl)-6-methylphenol.
What is the SMILES notation for 2-(butylaminomethyl)-6-methylphenol?
The canonical SMILES for 2-(butylaminomethyl)-6-methylphenol is CCCCNCc1cccc(C)c1O.
What is the InChIKey of 2-(butylaminomethyl)-6-methylphenol?
The InChIKey is CRDPUSMBMFKETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-4-8-13-9-11-7-5-6-10(2)12(11)14/h5-7,13-14H,3-4,8-9H2,1-2H3.
What are the key properties of 2-(butylaminomethyl)-6-methylphenol?
2-(butylaminomethyl)-6-methylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylaminomethyl)-6-methylphenol is sourced from PubChem (CID 82669937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).