[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine

C17H26N2O — CID 117438827

IUPAC[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine
SMILESCN1CC(Oc2cccc(C3(CN)CCCCC3)c2)C1
InChIInChI=1S/C17H26N2O/c1-19-11-16(12-19)20-15-7-5-6-14(10-15)17(13-18)8-3-2-4-9-17/h5-7,10,16H,2-4,8-9,11-13,18H2,1H3
InChIKeyZLWYMGNUZMAGPX-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.54
Rot. Bonds4

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

[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine (PubChem CID 117438827) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine
PubChem CID117438827
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine
SMILESCN1CC(Oc2cccc(C3(CN)CCCCC3)c2)C1
InChIInChI=1S/C17H26N2O/c1-19-11-16(12-19)20-15-7-5-6-14(10-15)17(13-18)8-3-2-4-9-17/h5-7,10,16H,2-4,8-9,11-13,18H2,1H3
InChIKeyZLWYMGNUZMAGPX-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine
CID 117405631
1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine
CID 117368744
[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine
CID 117405750
[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine
CID 117467815
[1-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
CID 117420817
4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline
CID 116996678
[1-(3-phenylmethoxyphenyl)cyclopentyl]methanamine
CID 117451817
[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine
CID 117402976
3-(3-fluorophenoxy)-1-methylazetidine
CID 118403576
[1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
CID 117336793
4-[3-[1-(aminomethyl)cyclopropyl]phenoxy]aniline
CID 116996675
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
CID 117113390

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine (CID 117438827) is [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine is CN1CC(Oc2cccc(C3(CN)CCCCC3)c2)C1.
What is the InChIKey of [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine?
The InChIKey is ZLWYMGNUZMAGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19-11-16(12-19)20-15-7-5-6-14(10-15)17(13-18)8-3-2-4-9-17/h5-7,10,16H,2-4,8-9,11-13,18H2,1H3.
What are the key properties of [1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine?
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.54, 4 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]cyclohexyl]methanamine is sourced from PubChem (CID 117438827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).