1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine

C16H25NO — CID 61026967

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H25NO/c1-3-5-8-15(17-4-2)13-9-10-16-14(12-13)7-6-11-18-16/h9-10,12,15,17H,3-8,11H2,1-2H3
InChIKeyJYOFPXKMEZSIAV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.85
Rot. Bonds6

About 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine

1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine (PubChem CID 61026967) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
PubChem CID61026967
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H25NO/c1-3-5-8-15(17-4-2)13-9-10-16-14(12-13)7-6-11-18-16/h9-10,12,15,17H,3-8,11H2,1-2H3
InChIKeyJYOFPXKMEZSIAV-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine
CID 63503929
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
CID 114752389
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 113425129
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyloctan-1-amine
CID 43490459
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
CID 115845362
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080
1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
CID 55199817
1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
CID 114752406
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 104542703
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587
1-(2,3-dihydro-1-benzofuran-5-yl)decylhydrazine
CID 105293354

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine (CID 61026967) is 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine is CCCCC(NCC)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine?
The InChIKey is JYOFPXKMEZSIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-5-8-15(17-4-2)13-9-10-16-14(12-13)7-6-11-18-16/h9-10,12,15,17H,3-8,11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine?
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine is sourced from PubChem (CID 61026967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).