[4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine

C12H18N2O — CID 84674541

IUPAC[4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
SMILESCN1CC(COc2ccc(CN)cc2)C1
InChIInChI=1S/C12H18N2O/c1-14-7-11(8-14)9-15-12-4-2-10(6-13)3-5-12/h2-5,11H,6-9,13H2,1H3
InChIKeyFZVQRYVPXLBKPG-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.09
Rot. Bonds4

About [4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine

[4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine (PubChem CID 84674541) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
PubChem CID84674541
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
SMILESCN1CC(COc2ccc(CN)cc2)C1
InChIInChI=1S/C12H18N2O/c1-14-7-11(8-14)9-15-12-4-2-10(6-13)3-5-12/h2-5,11H,6-9,13H2,1H3
InChIKeyFZVQRYVPXLBKPG-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

[4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine
CID 97052425
[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 117052585
[2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
CID 84674537
[4-(1-methylazetidin-3-yl)phenyl]methanamine
CID 83827683
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166233
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine
CID 117052228
[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79227118
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937
4-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenol
CID 165429310
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167098
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine (CID 84674541) is [4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine is CN1CC(COc2ccc(CN)cc2)C1.
What is the InChIKey of [4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine?
The InChIKey is FZVQRYVPXLBKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-11(8-14)9-15-12-4-2-10(6-13)3-5-12/h2-5,11H,6-9,13H2,1H3.
What are the key properties of [4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine?
[4-[(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 [4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 84674541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).