3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine

C14H22N2O — CID 116937420

IUPAC3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine
SMILESCOc1c(C)cc(C(N)C2CC(N)C2)cc1C
InChIInChI=1S/C14H22N2O/c1-8-4-10(5-9(2)14(8)17-3)13(16)11-6-12(15)7-11/h4-5,11-13H,6-7,15-16H2,1-3H3
InChIKeyFIXZPLGOXABZAF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.05
Rot. Bonds3

About 3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine

3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine (PubChem CID 116937420) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine
PubChem CID116937420
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine
SMILESCOc1c(C)cc(C(N)C2CC(N)C2)cc1C
InChIInChI=1S/C14H22N2O/c1-8-4-10(5-9(2)14(8)17-3)13(16)11-6-12(15)7-11/h4-5,11-13H,6-7,15-16H2,1-3H3
InChIKeyFIXZPLGOXABZAF-UHFFFAOYSA-N
XLogP2.05
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-cyclopropyl-(4-methoxy-3,5-dimethylphenyl)methanamine;hydrochloride
CID 171211641
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 106892811
6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83057726
3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
CID 116937304
5-(1-bromo-2-cyclopropylethyl)-2-methoxy-1,3-dimethylbenzene
CID 83068659
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 83154112
(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107178150
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
(S)-cyclobutyl-(3,4,5-trimethoxyphenyl)methanamine
CID 171219146
(1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 171231243
5-[bromo(cyclopropyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068810
3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine
CID 116937429

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine (CID 116937420) is 3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine is COc1c(C)cc(C(N)C2CC(N)C2)cc1C.
What is the InChIKey of 3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is FIXZPLGOXABZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-8-4-10(5-9(2)14(8)17-3)13(16)11-6-12(15)7-11/h4-5,11-13H,6-7,15-16H2,1-3H3.
What are the key properties of 3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine?
3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116937420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).