1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine

C13H18N2O — CID 84786198

IUPAC1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine
SMILESCN1CC(Oc2ccccc2C2(N)CC2)C1
InChIInChI=1S/C13H18N2O/c1-15-8-10(9-15)16-12-5-3-2-4-11(12)13(14)6-7-13/h2-5,10H,6-9,14H2,1H3
InChIKeySRZZMACRYLHHEY-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.33
Rot. Bonds3

About 1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine

1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine (PubChem CID 84786198) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine
PubChem CID84786198
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine
SMILESCN1CC(Oc2ccccc2C2(N)CC2)C1
InChIInChI=1S/C13H18N2O/c1-15-8-10(9-15)16-12-5-3-2-4-11(12)13(14)6-7-13/h2-5,10H,6-9,14H2,1H3
InChIKeySRZZMACRYLHHEY-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
CID 117336793
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentan-1-amine
CID 117438963
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117469482
1-[2-(thian-4-yloxy)phenyl]cyclopropan-1-amine
CID 115004989
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-amine
CID 95732347
1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine
CID 117368744
1-(2-butoxyphenyl)cyclopropan-1-amine
CID 176600584
1-(2-methoxyphenyl)-4-methylcyclohexan-1-amine
CID 60793795
1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine
CID 117478270
1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine
CID 141324202
1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine
CID 115005159
[1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine
CID 117469400

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine (CID 84786198) is 1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine is CN1CC(Oc2ccccc2C2(N)CC2)C1.
What is the InChIKey of 1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine?
The InChIKey is SRZZMACRYLHHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-8-10(9-15)16-12-5-3-2-4-11(12)13(14)6-7-13/h2-5,10H,6-9,14H2,1H3.
What are the key properties of 1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine?
1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.33, 3 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]cyclopropan-1-amine is sourced from PubChem (CID 84786198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).