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

C15H21NO3 — CID 117412880

IUPAC1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine
SMILESCOc1cccc(C2(N)CCCC2)c1OC1COC1
InChIInChI=1S/C15H21NO3/c1-17-13-6-4-5-12(15(16)7-2-3-8-15)14(13)19-11-9-18-10-11/h4-6,11H,2-3,7-10,16H2,1H3
InChIKeyHHCLNJMQQGHOPA-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.20
Rot. Bonds4

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

1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine (PubChem CID 117412880) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine
PubChem CID117412880
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine
SMILESCOc1cccc(C2(N)CCCC2)c1OC1COC1
InChIInChI=1S/C15H21NO3/c1-17-13-6-4-5-12(15(16)7-2-3-8-15)14(13)19-11-9-18-10-11/h4-6,11H,2-3,7-10,16H2,1H3
InChIKeyHHCLNJMQQGHOPA-UHFFFAOYSA-N
XLogP2.20
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.20
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-(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-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
3-[2-(1-isocyanatocyclopropyl)-6-methoxyphenoxy]oxolane
CID 117440099

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine (CID 117412880) is 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine is COc1cccc(C2(N)CCCC2)c1OC1COC1.
What is the InChIKey of 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine?
The InChIKey is HHCLNJMQQGHOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-13-6-4-5-12(15(16)7-2-3-8-15)14(13)19-11-9-18-10-11/h4-6,11H,2-3,7-10,16H2,1H3.
What are the key properties of 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine?
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 2.20, 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]cyclopentan-1-amine is sourced from PubChem (CID 117412880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).