1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine

C17H25NO — CID 114604522

IUPAC1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
SMILESCNC(CC1CCOC1)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H25NO/c1-18-17(10-13-8-9-19-12-13)16-7-3-6-15(11-16)14-4-2-5-14/h3,6-7,11,13-14,17-18H,2,4-5,8-10,12H2,1H3
InChIKeyFPOIQZCJOAVYRV-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.64
Rot. Bonds5

About 1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine

1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine (PubChem CID 114604522) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
PubChem CID114604522
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
SMILESCNC(CC1CCOC1)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H25NO/c1-18-17(10-13-8-9-19-12-13)16-7-3-6-15(11-16)14-4-2-5-14/h3,6-7,11,13-14,17-18H,2,4-5,8-10,12H2,1H3
InChIKeyFPOIQZCJOAVYRV-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362131
N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 103986937
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
1-(3-cyclobutylphenyl)-2-methoxy-N-methylethanamine
CID 114602794
N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604146
1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 114602821
1-(furan-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987114
N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 114603372
[1-(3-fluorophenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266099
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963
1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103149403

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine (CID 114604522) is 1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine is CNC(CC1CCOC1)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The InChIKey is FPOIQZCJOAVYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-18-17(10-13-8-9-19-12-13)16-7-3-6-15(11-16)14-4-2-5-14/h3,6-7,11,13-14,17-18H,2,4-5,8-10,12H2,1H3.
What are the key properties of 1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 114604522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).