N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine

C14H21NO — CID 82493922

IUPACN-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
SMILESCOc1cc(C)c(C)cc1CNC1CCC1
InChIInChI=1S/C14H21NO/c1-10-7-12(9-15-13-5-4-6-13)14(16-3)8-11(10)2/h7-8,13,15H,4-6,9H2,1-3H3
InChIKeyAGPOOMLNVXOLHH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.95
Rot. Bonds4

About N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine

N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine (PubChem CID 82493922) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
PubChem CID82493922
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
SMILESCOc1cc(C)c(C)cc1CNC1CCC1
InChIInChI=1S/C14H21NO/c1-10-7-12(9-15-13-5-4-6-13)14(16-3)8-11(10)2/h7-8,13,15H,4-6,9H2,1-3H3
InChIKeyAGPOOMLNVXOLHH-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine
CID 96674047
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine
CID 82298659
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide
CID 75531363
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]cycloheptanamine
CID 791926
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]cyclobutanamine
CID 64988551
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine
CID 78910434
1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea
CID 110774921
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine (CID 82493922) is N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine is COc1cc(C)c(C)cc1CNC1CCC1.
What is the InChIKey of N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine?
The InChIKey is AGPOOMLNVXOLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-7-12(9-15-13-5-4-6-13)14(16-3)8-11(10)2/h7-8,13,15H,4-6,9H2,1-3H3.
What are the key properties of N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine?
N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine has a molecular weight of 219.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine is sourced from PubChem (CID 82493922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).