[2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine

C12H18N2O — CID 84674537

IUPAC[2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
SMILESCN1CC(COc2ccccc2CN)C1
InChIInChI=1S/C12H18N2O/c1-14-7-10(8-14)9-15-12-5-3-2-4-11(12)6-13/h2-5,10H,6-9,13H2,1H3
InChIKeyZYHMAMHNVZFLNJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.09
Rot. Bonds4

About [2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine

[2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine (PubChem CID 84674537) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
PubChem CID84674537
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
SMILESCN1CC(COc2ccccc2CN)C1
InChIInChI=1S/C12H18N2O/c1-14-7-10(8-14)9-15-12-5-3-2-4-11(12)6-13/h2-5,10H,6-9,13H2,1H3
InChIKeyZYHMAMHNVZFLNJ-UHFFFAOYSA-N
XLogP1.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
CID 84686072
[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166937
[4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
CID 84674541
2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61461595
[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166316
4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one
CID 13362254
[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine
CID 61218601
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
CID 63103704
(2-ethoxyphenyl)methanamine;undecan-1-amine
CID 158338223
8-[(1-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076740
3-[[2-(2-chloro-2-cyclohexylethyl)phenoxy]methyl]-1-methylpiperidine
CID 139662063
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine (CID 84674537) is [2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine is CN1CC(COc2ccccc2CN)C1.
What is the InChIKey of [2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine?
The InChIKey is ZYHMAMHNVZFLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-10(8-14)9-15-12-5-3-2-4-11(12)6-13/h2-5,10H,6-9,13H2,1H3.
What are the key properties of [2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine?
[2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 84674537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).