4-[[(1-ethylcyclobutyl)amino]methyl]phenol

C13H19NO — CID 115978684

IUPAC4-[[(1-ethylcyclobutyl)amino]methyl]phenol
SMILESCCC1(NCc2ccc(O)cc2)CCC1
InChIInChI=1S/C13H19NO/c1-2-13(8-3-9-13)14-10-11-4-6-12(15)7-5-11/h4-7,14-15H,2-3,8-10H2,1H3
InChIKeyGVPNSQCJAGTJGQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.81
Rot. Bonds4

About 4-[[(1-ethylcyclobutyl)amino]methyl]phenol

4-[[(1-ethylcyclobutyl)amino]methyl]phenol (PubChem CID 115978684) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-[[(1-ethylcyclobutyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(1-ethylcyclobutyl)amino]methyl]phenol
PubChem CID115978684
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-[[(1-ethylcyclobutyl)amino]methyl]phenol
SMILESCCC1(NCc2ccc(O)cc2)CCC1
InChIInChI=1S/C13H19NO/c1-2-13(8-3-9-13)14-10-11-4-6-12(15)7-5-11/h4-7,14-15H,2-3,8-10H2,1H3
InChIKeyGVPNSQCJAGTJGQ-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(1-ethylcyclobutyl)amino]methyl]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

4-[[(1-ethylcyclobutyl)amino]methyl]benzene-1,2-diol
CID 115978682
[1-[(4-ethylphenyl)methylamino]cyclopentyl]methanol
CID 62524121
1-ethyl-N-(naphthalen-2-ylmethyl)cyclobutan-1-amine
CID 113488696
N-benzyl-1-ethylcyclopropan-1-amine
CID 130847049
N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 105401701
1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113248763
1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 115673846
N-[(3-bromo-4-methoxyphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 115673745
2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol
CID 115673951
4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 102809731
1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 115673684
2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol
CID 115673879

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylcyclobutyl)amino]methyl]phenol?
The IUPAC name of 4-[[(1-ethylcyclobutyl)amino]methyl]phenol (CID 115978684) is 4-[[(1-ethylcyclobutyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(1-ethylcyclobutyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(1-ethylcyclobutyl)amino]methyl]phenol is CCC1(NCc2ccc(O)cc2)CCC1.
What is the InChIKey of 4-[[(1-ethylcyclobutyl)amino]methyl]phenol?
The InChIKey is GVPNSQCJAGTJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-13(8-3-9-13)14-10-11-4-6-12(15)7-5-11/h4-7,14-15H,2-3,8-10H2,1H3.
What are the key properties of 4-[[(1-ethylcyclobutyl)amino]methyl]phenol?
4-[[(1-ethylcyclobutyl)amino]methyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylcyclobutyl)amino]methyl]phenol is sourced from PubChem (CID 115978684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).