cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine

C14H21NO — CID 82493927

IUPACcyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCOc1cc(C)cc(C)c1C(N)C1CCC1
InChIInChI=1S/C14H21NO/c1-9-7-10(2)13(12(8-9)16-3)14(15)11-5-4-6-11/h7-8,11,14H,4-6,15H2,1-3H3
InChIKeySWKPKYDJAUKEEN-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.11
Rot. Bonds3

About cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine

cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine (PubChem CID 82493927) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine
PubChem CID82493927
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Namecyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCOc1cc(C)cc(C)c1C(N)C1CCC1
InChIInChI=1S/C14H21NO/c1-9-7-10(2)13(12(8-9)16-3)14(15)11-5-4-6-11/h7-8,11,14H,4-6,15H2,1-3H3
InChIKeySWKPKYDJAUKEEN-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680816
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004
cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679603
[cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 106682698
4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202406
N'-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116935221
(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82292642
4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937242
1-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106680447
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine?
The IUPAC name of cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine (CID 82493927) is cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine?
The canonical SMILES for cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine is COc1cc(C)cc(C)c1C(N)C1CCC1.
What is the InChIKey of cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine?
The InChIKey is SWKPKYDJAUKEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-7-10(2)13(12(8-9)16-3)14(15)11-5-4-6-11/h7-8,11,14H,4-6,15H2,1-3H3.
What are the key properties of cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine?
cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 82493927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).