2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine

C16H25NO — CID 115863611

IUPAC2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCNC(CC1CCC1)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H25NO/c1-12(2)18-15-9-5-8-14(11-15)16(17-3)10-13-6-4-7-13/h5,8-9,11-13,16-17H,4,6-7,10H2,1-3H3
InChIKeyLIQSIOLUVFFWHM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds6

About 2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine

2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine (PubChem CID 115863611) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
PubChem CID115863611
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCNC(CC1CCC1)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H25NO/c1-12(2)18-15-9-5-8-14(11-15)16(17-3)10-13-6-4-7-13/h5,8-9,11-13,16-17H,4,6-7,10H2,1-3H3
InChIKeyLIQSIOLUVFFWHM-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-cyclopropyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105254134
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine
CID 107190280
2-cycloheptyl-1-(3-ethylphenyl)-N-methylethanamine
CID 105018546
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728
[2-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105198673
2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81491759
3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105152827
2-cyclobutyl-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115863683
[2-cyclopropyl-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191557
1-(3-cyclopropyloxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105188537
2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine
CID 115863730

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine (CID 115863611) is 2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine is CNC(CC1CCC1)c1cccc(OC(C)C)c1.
What is the InChIKey of 2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is LIQSIOLUVFFWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)18-15-9-5-8-14(11-15)16(17-3)10-13-6-4-7-13/h5,8-9,11-13,16-17H,4,6-7,10H2,1-3H3.
What are the key properties of 2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine?
2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 115863611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).