N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine

C19H23NO — CID 43632936

IUPACN-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCOc1ccccc1CNC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C19H23NO/c1-14-6-5-8-15(10-14)17-11-18(12-17)20-13-16-7-3-4-9-19(16)21-2/h3-10,17-18,20H,11-13H2,1-2H3
InChIKeyNGQHGOPSXYYSIO-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.04
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine

N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine (PubChem CID 43632936) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
PubChem CID43632936
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCOc1ccccc1CNC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C19H23NO/c1-14-6-5-8-15(10-14)17-11-18(12-17)20-13-16-7-3-4-9-19(16)21-2/h3-10,17-18,20H,11-13H2,1-2H3
InChIKeyNGQHGOPSXYYSIO-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530609
N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
CID 43632228
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
CID 115619481
N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530006
N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282262
N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 82731725
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
N-(2,2-diethoxyethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 79548122

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine (CID 43632936) is N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine is COc1ccccc1CNC1CC(c2cccc(C)c2)C1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The InChIKey is NGQHGOPSXYYSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-6-5-8-15(10-14)17-11-18(12-17)20-13-16-7-3-4-9-19(16)21-2/h3-10,17-18,20H,11-13H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine?
N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43632936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).