N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine

C18H27NO — CID 105053721

IUPACN-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C2CCC2)c1)C1OCCC1C
InChIInChI=1S/C18H27NO/c1-3-19-17(18-13(2)10-11-20-18)16-9-5-8-15(12-16)14-6-4-7-14/h5,8-9,12-14,17-19H,3-4,6-7,10-11H2,1-2H3
InChIKeyJGSLIAQQQKQUSI-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.03
Rot. Bonds5

About N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine

N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 105053721) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
PubChem CID105053721
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C2CCC2)c1)C1OCCC1C
InChIInChI=1S/C18H27NO/c1-3-19-17(18-13(2)10-11-20-18)16-9-5-8-15(12-16)14-6-4-7-14/h5,8-9,12-14,17-19H,3-4,6-7,10-11H2,1-2H3
InChIKeyJGSLIAQQQKQUSI-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 115482290
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105006959
N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115785515
1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 105053635
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791
N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 114602617
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114603052
N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 114603372
1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 114603906

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine (CID 105053721) is N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine is CCNC(c1cccc(C2CCC2)c1)C1OCCC1C.
What is the InChIKey of N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is JGSLIAQQQKQUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-19-17(18-13(2)10-11-20-18)16-9-5-8-15(12-16)14-6-4-7-14/h5,8-9,12-14,17-19H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine?
N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 105053721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).