[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine

C16H23NO2 — CID 117408015

IUPAC[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
SMILESCOc1cccc(C2(CN)CCC2)c1OC1CCC1
InChIInChI=1S/C16H23NO2/c1-18-14-8-3-7-13(16(11-17)9-4-10-16)15(14)19-12-5-2-6-12/h3,7-8,12H,2,4-6,9-11,17H2,1H3
InChIKeyOMALBUARVCVCKD-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.01
Rot. Bonds5

About [1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine

[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine (PubChem CID 117408015) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
PubChem CID117408015
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
SMILESCOc1cccc(C2(CN)CCC2)c1OC1CCC1
InChIInChI=1S/C16H23NO2/c1-18-14-8-3-7-13(16(11-17)9-4-10-16)15(14)19-12-5-2-6-12/h3,7-8,12H,2,4-6,9-11,17H2,1H3
InChIKeyOMALBUARVCVCKD-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[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-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117444480
[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
CID 117489833
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine
CID 117469400
[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
CID 117371168
[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117476564
[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117448113
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410189

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine (CID 117408015) is [1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine is COc1cccc(C2(CN)CCC2)c1OC1CCC1.
What is the InChIKey of [1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine?
The InChIKey is OMALBUARVCVCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-14-8-3-7-13(16(11-17)9-4-10-16)15(14)19-12-5-2-6-12/h3,7-8,12H,2,4-6,9-11,17H2,1H3.
What are the key properties of [1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine?
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine has a molecular weight of 261.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117408015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).