1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine

C15H22N2O — CID 117368744

IUPAC1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine
SMILESCN1CC(Oc2cccc(C3(N)CCCC3)c2)C1
InChIInChI=1S/C15H22N2O/c1-17-10-14(11-17)18-13-6-4-5-12(9-13)15(16)7-2-3-8-15/h4-6,9,14H,2-3,7-8,10-11,16H2,1H3
InChIKeyQFKZCAPYMILFJN-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.11
Rot. Bonds3

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

1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine (PubChem CID 117368744) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine
PubChem CID117368744
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine
SMILESCN1CC(Oc2cccc(C3(N)CCCC3)c2)C1
InChIInChI=1S/C15H22N2O/c1-17-10-14(11-17)18-13-6-4-5-12(9-13)15(16)7-2-3-8-15/h4-6,9,14H,2-3,7-8,10-11,16H2,1H3
InChIKeyQFKZCAPYMILFJN-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(Propan-2-yloxy)phenyl]ethan-1-amine
CID 16640678
Dimethyl(2-(3-((methylamino)methyl)phenoxy)ethyl)amine
CID 28338639
N-{2-[3-(aminomethyl)phenoxy]ethyl}-N-methyloxan-4-amine
CID 43610823
2-(3-Ethoxyphenyl)propan-2-amine
CID 79004996
3-[2-(Dimethylamino)ethoxy]benzenemethanamine
CID 16771284
(1S)-1-{3-[2-(dimethylamino)ethoxy]phenyl}ethan-1-amine
CID 30073858
1-{3-[3-(Dimethylamino)propoxy]benzyl}azetidin-3-ol
CID 77093834
1-(3-Cyclopentyloxy-4-fluorophenyl)ethanamine
CID 20088208
1-Methyl-2,2-diphenyl-3-[3-(trifluoromethyl)phenoxy]azetidine
CID 70450736
(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine
CID 70661418
1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine
CID 134553754
N-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine
CID 135220259

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine?
The IUPAC name of 1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine (CID 117368744) is 1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine is CN1CC(Oc2cccc(C3(N)CCCC3)c2)C1.
What is the InChIKey of 1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine?
The InChIKey is QFKZCAPYMILFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-10-14(11-17)18-13-6-4-5-12(9-13)15(16)7-2-3-8-15/h4-6,9,14H,2-3,7-8,10-11,16H2,1H3.
What are the key properties of 1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine?
1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine is sourced from PubChem (CID 117368744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).