N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine

C15H24N2O2 — CID 115207803

IUPACN-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(CCNCC2CNC2)c(OC)cc1C
InChIInChI=1S/C15H24N2O2/c1-11-6-15(19-3)13(7-14(11)18-2)4-5-16-8-12-9-17-10-12/h6-7,12,16-17H,4-5,8-10H2,1-3H3
InChIKeyAIRJFGQJJYQVJO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.36
Rot. Bonds7

About N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine

N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine (PubChem CID 115207803) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine
PubChem CID115207803
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(CCNCC2CNC2)c(OC)cc1C
InChIInChI=1S/C15H24N2O2/c1-11-6-15(19-3)13(7-14(11)18-2)4-5-16-8-12-9-17-10-12/h6-7,12,16-17H,4-5,8-10H2,1-3H3
InChIKeyAIRJFGQJJYQVJO-UHFFFAOYSA-N
XLogP1.36
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
CID 115229328
3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
CID 82286623
2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839
1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 115207484
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine
CID 115206014
2-[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]ethanethiol
CID 115224241
N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline
CID 115207226
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079
N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine
CID 115210008
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795767
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
CID 115207906

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine (CID 115207803) is N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine is COc1cc(CCNCC2CNC2)c(OC)cc1C.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine?
The InChIKey is AIRJFGQJJYQVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-6-15(19-3)13(7-14(11)18-2)4-5-16-8-12-9-17-10-12/h6-7,12,16-17H,4-5,8-10H2,1-3H3.
What are the key properties of N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine?
N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 115207803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).