[1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine

C14H20N2O — CID 117336793

IUPAC[1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
SMILESCN1CC(Oc2ccccc2C2(CN)CC2)C1
InChIInChI=1S/C14H20N2O/c1-16-8-11(9-16)17-13-5-3-2-4-12(13)14(10-15)6-7-14/h2-5,11H,6-10,15H2,1H3
InChIKeyPRAXITVZEBPOMB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.37
Rot. Bonds4

About [1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine

[1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine (PubChem CID 117336793) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
PubChem CID117336793
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
SMILESCN1CC(Oc2ccccc2C2(CN)CC2)C1
InChIInChI=1S/C14H20N2O/c1-16-8-11(9-16)17-13-5-3-2-4-12(13)14(10-15)6-7-14/h2-5,11H,6-10,15H2,1H3
InChIKeyPRAXITVZEBPOMB-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine
CID 84786198
[1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine
CID 117413855
[1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine
CID 117469400
[1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
CID 117420817
[1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117408023
[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
CID 117489833
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine
CID 117405631
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine
CID 117438827
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentan-1-amine
CID 117438963
[1-methyl-4-(2-methylsulfanylphenyl)piperidin-4-yl]methanamine
CID 82026904
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117469482

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine (CID 117336793) is [1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine is CN1CC(Oc2ccccc2C2(CN)CC2)C1.
What is the InChIKey of [1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine?
The InChIKey is PRAXITVZEBPOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-8-11(9-16)17-13-5-3-2-4-12(13)14(10-15)6-7-14/h2-5,11H,6-10,15H2,1H3.
What are the key properties of [1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine?
[1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine has a molecular weight of 232.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117336793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).