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

C17H26N2O2 — CID 117469482

IUPAC1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine
SMILESCOc1cccc(C2(N)CCCCC2)c1OC1CN(C)C1
InChIInChI=1S/C17H26N2O2/c1-19-11-13(12-19)21-16-14(7-6-8-15(16)20-2)17(18)9-4-3-5-10-17/h6-8,13H,3-5,9-12,18H2,1-2H3
InChIKeyACRSYLNOHOQNLO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.51
Rot. Bonds4

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

1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine (PubChem CID 117469482) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine
PubChem CID117469482
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine
SMILESCOc1cccc(C2(N)CCCCC2)c1OC1CN(C)C1
InChIInChI=1S/C17H26N2O2/c1-19-11-13(12-19)21-16-14(7-6-8-15(16)20-2)17(18)9-4-3-5-10-17/h6-8,13H,3-5,9-12,18H2,1-2H3
InChIKeyACRSYLNOHOQNLO-UHFFFAOYSA-N
XLogP2.51
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117444635
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117412880
1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117448431
1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine
CID 117478270
1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine
CID 115005159
1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117342977
1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropan-1-amine
CID 84786198
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine
CID 117470749
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentan-1-amine
CID 117438963

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine?
The IUPAC name of 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine (CID 117469482) is 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine is COc1cccc(C2(N)CCCCC2)c1OC1CN(C)C1.
What is the InChIKey of 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine?
The InChIKey is ACRSYLNOHOQNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-11-13(12-19)21-16-14(7-6-8-15(16)20-2)17(18)9-4-3-5-10-17/h6-8,13H,3-5,9-12,18H2,1-2H3.
What are the key properties of 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine?
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine is sourced from PubChem (CID 117469482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).