2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol

C18H21NO2 — CID 115619481

IUPAC2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
SMILESCOc1ccccc1C1CC(NCc2ccccc2O)C1
InChIInChI=1S/C18H21NO2/c1-21-18-9-5-3-7-16(18)14-10-15(11-14)19-12-13-6-2-4-8-17(13)20/h2-9,14-15,19-20H,10-12H2,1H3
InChIKeyOYXVFHGDOUHAFC-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.44
Rot. Bonds5

About 2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol

2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol (PubChem CID 115619481) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
PubChem CID115619481
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
SMILESCOc1ccccc1C1CC(NCc2ccccc2O)C1
InChIInChI=1S/C18H21NO2/c1-21-18-9-5-3-7-16(18)14-10-15(11-14)19-12-13-6-2-4-8-17(13)20/h2-9,14-15,19-20H,10-12H2,1H3
InChIKeyOYXVFHGDOUHAFC-UHFFFAOYSA-N
XLogP3.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632771
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43633599
N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 60779337
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632427
N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol
CID 63295043
2-[[3-(2-methoxyphenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635304
N-ethyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]acetamide
CID 43635655
4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
CID 60782936
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 78953381
3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 61042870
N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632936

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol?
The IUPAC name of 2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol (CID 115619481) is 2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol is COc1ccccc1C1CC(NCc2ccccc2O)C1.
What is the InChIKey of 2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol?
The InChIKey is OYXVFHGDOUHAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-18-9-5-3-7-16(18)14-10-15(11-14)19-12-13-6-2-4-8-17(13)20/h2-9,14-15,19-20H,10-12H2,1H3.
What are the key properties of 2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol?
2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol has a molecular weight of 283.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol is sourced from PubChem (CID 115619481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).