N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine

C14H21NO — CID 82493926

IUPACN-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
SMILESCOc1cc(C)cc(C)c1CNC1CCC1
InChIInChI=1S/C14H21NO/c1-10-7-11(2)13(14(8-10)16-3)9-15-12-5-4-6-12/h7-8,12,15H,4-6,9H2,1-3H3
InChIKeyLCJONCSNZHBRBR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.95
Rot. Bonds4

About N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine

N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine (PubChem CID 82493926) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
PubChem CID82493926
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
SMILESCOc1cc(C)cc(C)c1CNC1CCC1
InChIInChI=1S/C14H21NO/c1-10-7-11(2)13(14(8-10)16-3)9-15-12-5-4-6-12/h7-8,12,15H,4-6,9H2,1-3H3
InChIKeyLCJONCSNZHBRBR-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'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206979
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188
N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
CID 82493922
N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine
CID 96674047
N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115207098
N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208286
4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 63453897
1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine
CID 115117437
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119043
1,1-dioxo-N-[(2,4,6-trimethylphenyl)methyl]thian-4-amine
CID 43614931
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine
CID 115195883

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine (CID 82493926) is N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine is COc1cc(C)cc(C)c1CNC1CCC1.
What is the InChIKey of N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine?
The InChIKey is LCJONCSNZHBRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-7-11(2)13(14(8-10)16-3)9-15-12-5-4-6-12/h7-8,12,15H,4-6,9H2,1-3H3.
What are the key properties of N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine?
N-[(2-methoxy-4,6-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-4,6-dimethylphenyl)methyl]cyclobutanamine is sourced from PubChem (CID 82493926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).