[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine

C16H23NO3 — CID 117444480

IUPAC[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
SMILESCOc1cccc(C2(CN)CC2)c1OC1CCCOC1
InChIInChI=1S/C16H23NO3/c1-18-14-6-2-5-13(16(11-17)7-8-16)15(14)20-12-4-3-9-19-10-12/h2,5-6,12H,3-4,7-11,17H2,1H3
InChIKeyHOOQQUCZYGJYJU-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.24
Rot. Bonds5

About [1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine

[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine (PubChem CID 117444480) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
PubChem CID117444480
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
SMILESCOc1cccc(C2(CN)CC2)c1OC1CCCOC1
InChIInChI=1S/C16H23NO3/c1-18-14-6-2-5-13(16(11-17)7-8-16)15(14)20-12-4-3-9-19-10-12/h2,5-6,12H,3-4,7-11,17H2,1H3
InChIKeyHOOQQUCZYGJYJU-UHFFFAOYSA-N
XLogP2.24
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117492478
[1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117448428
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117412880
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137119
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117444635
[1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117470732
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol
CID 115005747
[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
CID 117371168
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417565

Frequently Asked Questions

What is the IUPAC name of [1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine (CID 117444480) is [1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine is COc1cccc(C2(CN)CC2)c1OC1CCCOC1.
What is the InChIKey of [1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine?
The InChIKey is HOOQQUCZYGJYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-18-14-6-2-5-13(16(11-17)7-8-16)15(14)20-12-4-3-9-19-10-12/h2,5-6,12H,3-4,7-11,17H2,1H3.
What are the key properties of [1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine?
[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine has a molecular weight of 277.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117444480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).