1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine

C17H25NO3 — CID 117470745

IUPAC1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)ccc1OC1CCCOC1
InChIInChI=1S/C17H25NO3/c1-19-16-11-13(17(18)8-2-3-9-17)6-7-15(16)21-14-5-4-10-20-12-14/h6-7,11,14H,2-5,8-10,12,18H2,1H3
InChIKeyXIXYMNDOMYEPSF-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.98
Rot. Bonds4

About 1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine

1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine (PubChem CID 117470745) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
PubChem CID117470745
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)ccc1OC1CCCOC1
InChIInChI=1S/C17H25NO3/c1-19-16-11-13(17(18)8-2-3-9-17)6-7-15(16)21-14-5-4-10-20-12-14/h6-7,11,14H,2-5,8-10,12,18H2,1H3
InChIKeyXIXYMNDOMYEPSF-UHFFFAOYSA-N
XLogP2.98
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
[1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117470732
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117448437
1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]cyclopentan-1-amine
CID 117496257
(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine
CID 107134434
1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117440934
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117489868
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850
1-(3,4-dimethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084119
1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine
CID 117495005
1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol
CID 117415265

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine (CID 117470745) is 1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine is COc1cc(C2(N)CCCC2)ccc1OC1CCCOC1.
What is the InChIKey of 1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine?
The InChIKey is XIXYMNDOMYEPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-16-11-13(17(18)8-2-3-9-17)6-7-15(16)21-14-5-4-10-20-12-14/h6-7,11,14H,2-5,8-10,12,18H2,1H3.
What are the key properties of 1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine?
1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine has a molecular weight of 291.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117470745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).