N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine

C14H22N2O2 — CID 79677271

IUPACN-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1N1CC(OC)(OC)C1
InChIInChI=1S/C14H22N2O2/c1-4-15-9-12-7-5-6-8-13(12)16-10-14(11-16,17-2)18-3/h5-8,15H,4,9-11H2,1-3H3
InChIKeyHGMRHPMMLYRBSZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.61
Rot. Bonds6

About N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine

N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 79677271) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine
PubChem CID79677271
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1N1CC(OC)(OC)C1
InChIInChI=1S/C14H22N2O2/c1-4-15-9-12-7-5-6-8-13(12)16-10-14(11-16,17-2)18-3/h5-8,15H,4,9-11H2,1-3H3
InChIKeyHGMRHPMMLYRBSZ-UHFFFAOYSA-N
XLogP1.61
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methanol
CID 104549275
N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 62932460
2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62890361
N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 62369129
N-ethyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43221678
N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine
CID 62267367
4-[2-(ethylaminomethyl)phenyl]piperazin-2-one
CID 43281159
1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81475046
3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol
CID 103356921
1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione
CID 61349411
2-(ethylaminomethyl)phenol
CID 12995218
[4-[2-(ethylaminomethyl)phenyl]morpholin-2-yl]methanol
CID 81204640

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine (CID 79677271) is N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine is CCNCc1ccccc1N1CC(OC)(OC)C1.
What is the InChIKey of N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is HGMRHPMMLYRBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-15-9-12-7-5-6-8-13(12)16-10-14(11-16,17-2)18-3/h5-8,15H,4,9-11H2,1-3H3.
What are the key properties of N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine?
N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 250.34 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 79677271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).