1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine

C14H22N2O3 — CID 115207558

IUPAC1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(CNCC2CNC2)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-17-11-4-13(18-2)12(14(5-11)19-3)9-16-8-10-6-15-7-10/h4-5,10,15-16H,6-9H2,1-3H3
InChIKeyMBJIWWRXVCIPQJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.02
Rot. Bonds7

About 1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine

1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine (PubChem CID 115207558) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
PubChem CID115207558
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(CNCC2CNC2)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-17-11-4-13(18-2)12(14(5-11)19-3)9-16-8-10-6-15-7-10/h4-5,10,15-16H,6-9H2,1-3H3
InChIKeyMBJIWWRXVCIPQJ-UHFFFAOYSA-N
XLogP1.02
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208846
1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 115207484
[(2,4,6-trimethoxyphenyl)methylamino]methanethiol
CID 115227955
2-cyclopentyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60733123
N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208780
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 115592760
N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 115195875
methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43344264
3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide
CID 112837522
N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline
CID 115207226
N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
CID 43090921

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine (CID 115207558) is 1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine is COc1cc(OC)c(CNCC2CNC2)c(OC)c1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine?
The InChIKey is MBJIWWRXVCIPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-17-11-4-13(18-2)12(14(5-11)19-3)9-16-8-10-6-15-7-10/h4-5,10,15-16H,6-9H2,1-3H3.
What are the key properties of 1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine?
1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine has a molecular weight of 266.34 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 115207558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).