[1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine

C17H26N2O2 — CID 117469400

IUPAC[1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine
SMILESCOc1c(OC2CCN(C)C2)cccc1C1(CN)CCC1
InChIInChI=1S/C17H26N2O2/c1-19-10-7-13(11-19)21-15-6-3-5-14(16(15)20-2)17(12-18)8-4-9-17/h3,5-6,13H,4,7-12,18H2,1-2H3
InChIKeyAPDDIDFOQWLDKU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.16
Rot. Bonds5

About [1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine

[1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine (PubChem CID 117469400) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine
PubChem CID117469400
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine
SMILESCOc1c(OC2CCN(C)C2)cccc1C1(CN)CCC1
InChIInChI=1S/C17H26N2O2/c1-19-10-7-13(11-19)21-15-6-3-5-14(16(15)20-2)17(12-18)8-4-9-17/h3,5-6,13H,4,7-12,18H2,1-2H3
InChIKeyAPDDIDFOQWLDKU-UHFFFAOYSA-N
XLogP2.16
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
CID 117489833
[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 115004761
2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine
CID 117469494
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
CID 117336793
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117492478
[1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117448428
2-methoxy-3-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005109
3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
CID 117469461
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085

Frequently Asked Questions

What is the IUPAC name of [1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine (CID 117469400) is [1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine is COc1c(OC2CCN(C)C2)cccc1C1(CN)CCC1.
What is the InChIKey of [1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine?
The InChIKey is APDDIDFOQWLDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-10-7-13(11-19)21-15-6-3-5-14(16(15)20-2)17(12-18)8-4-9-17/h3,5-6,13H,4,7-12,18H2,1-2H3.
What are the key properties of [1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine?
[1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine has a molecular weight of 290.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117469400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).