N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine

C14H21NO2 — CID 96674047

IUPACN-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine
SMILESCOc1cc(C)c(CNC2CCC2)cc1OC
InChIInChI=1S/C14H21NO2/c1-10-7-13(16-2)14(17-3)8-11(10)9-15-12-5-4-6-12/h7-8,12,15H,4-6,9H2,1-3H3
InChIKeyHINPSOYCBNEGKF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.65
Rot. Bonds5

About N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine

N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine (PubChem CID 96674047) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine
PubChem CID96674047
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine
SMILESCOc1cc(C)c(CNC2CCC2)cc1OC
InChIInChI=1S/C14H21NO2/c1-10-7-13(16-2)14(17-3)8-11(10)9-15-12-5-4-6-12/h7-8,12,15H,4-6,9H2,1-3H3
InChIKeyHINPSOYCBNEGKF-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
CID 82493922
N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 59494303
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide
CID 75531363
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]cyclobutanamine
CID 64988551
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine
CID 82298659
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
(1S,8aR)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 96932938
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine
CID 66532495
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine
CID 55189666
N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine
CID 106659132

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine (CID 96674047) is N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine is COc1cc(C)c(CNC2CCC2)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine?
The InChIKey is HINPSOYCBNEGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-7-13(16-2)14(17-3)8-11(10)9-15-12-5-4-6-12/h7-8,12,15H,4-6,9H2,1-3H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine?
N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine has a molecular weight of 235.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine is sourced from PubChem (CID 96674047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).