3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine

C14H21NO3 — CID 116926490

IUPAC3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1cc(OC)c(CC2CC(N)C2)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-16-11-7-13(17-2)12(14(8-11)18-3)6-9-4-10(15)5-9/h7-10H,4-6,15H2,1-3H3
InChIKeyWNBPNGWWLPXBBL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.99
Rot. Bonds5

About 3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine

3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine (PubChem CID 116926490) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine
PubChem CID116926490
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1cc(OC)c(CC2CC(N)C2)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-16-11-7-13(17-2)12(14(8-11)18-3)6-9-4-10(15)5-9/h7-10H,4-6,15H2,1-3H3
InChIKeyWNBPNGWWLPXBBL-UHFFFAOYSA-N
XLogP1.99
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117346889
2-(iodomethyl)-1,3,5-trimethoxybenzene
CID 10946751
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine
CID 116926457
2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol
CID 115976609
N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline
CID 115213906
4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 61382953
1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 115207558
N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline
CID 115213789
3,5-dimethoxy-2-propylaniline
CID 141261453
2-(cyclopropylmethyl)-1,3-dimethoxybenzene
CID 123548705
2-cyclopentyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60733123
1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 120909277

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine (CID 116926490) is 3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine is COc1cc(OC)c(CC2CC(N)C2)c(OC)c1.
What is the InChIKey of 3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine?
The InChIKey is WNBPNGWWLPXBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-11-7-13(17-2)12(14(8-11)18-3)6-9-4-10(15)5-9/h7-10H,4-6,15H2,1-3H3.
What are the key properties of 3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine?
3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,6-trimethoxyphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116926490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).