1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine

C17H25NO — CID 103169448

IUPAC1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
SMILESCNC(CC1CCC1)CC1CCOc2ccccc21
InChIInChI=1S/C17H25NO/c1-18-15(11-13-5-4-6-13)12-14-9-10-19-17-8-3-2-7-16(14)17/h2-3,7-8,13-15,18H,4-6,9-12H2,1H3
InChIKeyPJXYTAKZJOGEDJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.72
Rot. Bonds5

About 1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine

1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine (PubChem CID 103169448) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
PubChem CID103169448
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
SMILESCNC(CC1CCC1)CC1CCOc2ccccc21
InChIInChI=1S/C17H25NO/c1-18-15(11-13-5-4-6-13)12-14-9-10-19-17-8-3-2-7-16(14)17/h2-3,7-8,13-15,18H,4-6,9-12H2,1H3
InChIKeyPJXYTAKZJOGEDJ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
CID 104770235
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103517069
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 104769305
1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770384
4-(3,4-dihydro-2H-chromen-4-yl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259425
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106830543
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylcyclopentyl)ethyl]hydrazine
CID 107194689
[1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105333582
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine (CID 103169448) is 1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine is CNC(CC1CCC1)CC1CCOc2ccccc21.
What is the InChIKey of 1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine?
The InChIKey is PJXYTAKZJOGEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-18-15(11-13-5-4-6-13)12-14-9-10-19-17-8-3-2-7-16(14)17/h2-3,7-8,13-15,18H,4-6,9-12H2,1H3.
What are the key properties of 1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine?
1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine has a molecular weight of 259.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 103169448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).