2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol

C13H19NO — CID 115908013

IUPAC2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
SMILESCc1cccc(CNC2CC(C)C2)c1O
InChIInChI=1S/C13H19NO/c1-9-6-12(7-9)14-8-11-5-3-4-10(2)13(11)15/h3-5,9,12,14-15H,6-8H2,1-2H3
InChIKeyILYBUXQCGKSDKV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.59
Rot. Bonds3

About 2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol

2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol (PubChem CID 115908013) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
PubChem CID115908013
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
SMILESCc1cccc(CNC2CC(C)C2)c1O
InChIInChI=1S/C13H19NO/c1-9-6-12(7-9)14-8-11-5-3-4-10(2)13(11)15/h3-5,9,12,14-15H,6-8H2,1-2H3
InChIKeyILYBUXQCGKSDKV-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102809836
2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol
CID 112554896
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol
CID 115904880
2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 115951249
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671641
cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 95376461
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol
CID 112554340
N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine
CID 115953881
N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671674
2-[[(2,2-diethyloxan-4-yl)amino]methyl]-6-methylphenol
CID 115908814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol?
The IUPAC name of 2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol (CID 115908013) is 2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol.
What is the SMILES notation for 2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol?
The canonical SMILES for 2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol is Cc1cccc(CNC2CC(C)C2)c1O.
What is the InChIKey of 2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol?
The InChIKey is ILYBUXQCGKSDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-6-12(7-9)14-8-11-5-3-4-10(2)13(11)15/h3-5,9,12,14-15H,6-8H2,1-2H3.
What are the key properties of 2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol?
2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol is sourced from PubChem (CID 115908013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).