3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine

C13H20N2O2 — CID 116937304

IUPAC3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(C(N)C2CC(N)C2)cc1OC
InChIInChI=1S/C13H20N2O2/c1-16-11-4-3-8(7-12(11)17-2)13(15)9-5-10(14)6-9/h3-4,7,9-10,13H,5-6,14-15H2,1-2H3
InChIKeyRPASNQLORHJGHN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.44
Rot. Bonds4

About 3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine

3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine (PubChem CID 116937304) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
PubChem CID116937304
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(C(N)C2CC(N)C2)cc1OC
InChIInChI=1S/C13H20N2O2/c1-16-11-4-3-8(7-12(11)17-2)13(15)9-5-10(14)6-9/h3-4,7,9-10,13H,5-6,14-15H2,1-2H3
InChIKeyRPASNQLORHJGHN-UHFFFAOYSA-N
XLogP1.44
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998021
azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
CID 116935281
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64739837
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
CID 61271784
3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116937310
3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine
CID 116937420
(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65414540
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine
CID 61364735

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine (CID 116937304) is 3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine is COc1ccc(C(N)C2CC(N)C2)cc1OC.
What is the InChIKey of 3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine?
The InChIKey is RPASNQLORHJGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-11-4-3-8(7-12(11)17-2)13(15)9-5-10(14)6-9/h3-4,7,9-10,13H,5-6,14-15H2,1-2H3.
What are the key properties of 3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine?
3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine has a molecular weight of 236.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116937304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).