4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol

C15H23NO — CID 104583343

IUPAC4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)NCC2(C)CCC2)c1
InChIInChI=1S/C15H23NO/c1-11-5-6-14(17)13(9-11)12(2)16-10-15(3)7-4-8-15/h5-6,9,12,16-17H,4,7-8,10H2,1-3H3
InChIKeyPQVLFZLTSBHLGI-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.54
Rot. Bonds4

About 4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol

4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol (PubChem CID 104583343) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
PubChem CID104583343
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)NCC2(C)CCC2)c1
InChIInChI=1S/C15H23NO/c1-11-5-6-14(17)13(9-11)12(2)16-10-15(3)7-4-8-15/h5-6,9,12,16-17H,4,7-8,10H2,1-3H3
InChIKeyPQVLFZLTSBHLGI-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol 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-[1-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65115152
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903195
4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol
CID 107270122
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65117008
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902912
2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol
CID 104582377
5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 113429442
2-[1-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]benzene-1,4-diol
CID 105415008
2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
1-(2,5-dichlorophenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 114107336
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol (CID 104583343) is 4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol is Cc1ccc(O)c(C(C)NCC2(C)CCC2)c1.
What is the InChIKey of 4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol?
The InChIKey is PQVLFZLTSBHLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-5-6-14(17)13(9-11)12(2)16-10-15(3)7-4-8-15/h5-6,9,12,16-17H,4,7-8,10H2,1-3H3.
What are the key properties of 4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol?
4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol has a molecular weight of 233.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol is sourced from PubChem (CID 104583343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).