1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine

C16H23NO3 — CID 117444635

IUPAC1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine
SMILESCOc1cccc(C2(N)CCCCC2)c1OC1COC1
InChIInChI=1S/C16H23NO3/c1-18-14-7-5-6-13(15(14)20-12-10-19-11-12)16(17)8-3-2-4-9-16/h5-7,12H,2-4,8-11,17H2,1H3
InChIKeyOBFZIYDMUABCDV-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.59
Rot. Bonds4

About 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine

1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine (PubChem CID 117444635) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine
PubChem CID117444635
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine
SMILESCOc1cccc(C2(N)CCCCC2)c1OC1COC1
InChIInChI=1S/C16H23NO3/c1-18-14-7-5-6-13(15(14)20-12-10-19-11-12)16(17)8-3-2-4-9-16/h5-7,12H,2-4,8-11,17H2,1H3
InChIKeyOBFZIYDMUABCDV-UHFFFAOYSA-N
XLogP2.59
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117412880
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117469482
1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine
CID 115005159
1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117448431
1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine
CID 117470749
[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117444480
1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117342977
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117469164
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine (CID 117444635) is 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine is COc1cccc(C2(N)CCCCC2)c1OC1COC1.
What is the InChIKey of 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine?
The InChIKey is OBFZIYDMUABCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-18-14-7-5-6-13(15(14)20-12-10-19-11-12)16(17)8-3-2-4-9-16/h5-7,12H,2-4,8-11,17H2,1H3.
What are the key properties of 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine?
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine has a molecular weight of 277.36 g/mol, XLogP of 2.59, 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-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117444635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).