2-[(2-cyclobutylethylamino)methyl]-6-methylphenol

C14H21NO — CID 115908380

IUPAC2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
SMILESCc1cccc(CNCCC2CCC2)c1O
InChIInChI=1S/C14H21NO/c1-11-4-2-7-13(14(11)16)10-15-9-8-12-5-3-6-12/h2,4,7,12,15-16H,3,5-6,8-10H2,1H3
InChIKeyBNOVVNWDJCQLJZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds5

About 2-[(2-cyclobutylethylamino)methyl]-6-methylphenol

2-[(2-cyclobutylethylamino)methyl]-6-methylphenol (PubChem CID 115908380) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(2-cyclobutylethylamino)methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
PubChem CID115908380
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
SMILESCc1cccc(CNCCC2CCC2)c1O
InChIInChI=1S/C14H21NO/c1-11-4-2-7-13(14(11)16)10-15-9-8-12-5-3-6-12/h2,4,7,12,15-16H,3,5-6,8-10H2,1H3
InChIKeyBNOVVNWDJCQLJZ-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
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'}

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Related Compounds

2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
CID 112554008
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol
CID 112554689
2-(butylaminomethyl)-6-methylphenol
CID 82669937
N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
CID 115690120
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 112553913
2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol
CID 114136728
3-[(2-hydroxy-3-methylphenyl)methylamino]propanoic acid
CID 112606379
2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
CID 63324647
2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
CID 115611231
2-[(2-cyclopropylethylamino)methyl]-4,5-dimethylphenol
CID 115656460
3-[(2-hydroxy-3-methylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 115904834

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutylethylamino)methyl]-6-methylphenol?
The IUPAC name of 2-[(2-cyclobutylethylamino)methyl]-6-methylphenol (CID 115908380) is 2-[(2-cyclobutylethylamino)methyl]-6-methylphenol.
What is the SMILES notation for 2-[(2-cyclobutylethylamino)methyl]-6-methylphenol?
The canonical SMILES for 2-[(2-cyclobutylethylamino)methyl]-6-methylphenol is Cc1cccc(CNCCC2CCC2)c1O.
What is the InChIKey of 2-[(2-cyclobutylethylamino)methyl]-6-methylphenol?
The InChIKey is BNOVVNWDJCQLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-2-7-13(14(11)16)10-15-9-8-12-5-3-6-12/h2,4,7,12,15-16H,3,5-6,8-10H2,1H3.
What are the key properties of 2-[(2-cyclobutylethylamino)methyl]-6-methylphenol?
2-[(2-cyclobutylethylamino)methyl]-6-methylphenol has a molecular weight of 219.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutylethylamino)methyl]-6-methylphenol is sourced from PubChem (CID 115908380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).