1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine

C15H20F3NO — CID 114745113

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1cccc2c1OCCC2
InChIInChI=1S/C15H20F3NO/c1-2-8-19-13(10-15(16,17)18)12-7-3-5-11-6-4-9-20-14(11)12/h3,5,7,13,19H,2,4,6,8-10H2,1H3
InChIKeyINQSAEKKRNOFNM-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.00
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine

1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine (PubChem CID 114745113) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
PubChem CID114745113
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1cccc2c1OCCC2
InChIInChI=1S/C15H20F3NO/c1-2-8-19-13(10-15(16,17)18)12-7-3-5-11-6-4-9-20-14(11)12/h3,5,7,13,19H,2,4,6,8-10H2,1H3
InChIKeyINQSAEKKRNOFNM-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103029496
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine
CID 114745447
1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine
CID 114745351
N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 114745087
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 114745074
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 114746254
N-[3,4-dihydro-2H-chromen-8-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105187275
N-[(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 105187326
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
[1-(3,4-dihydro-2H-chromen-8-yl)-2-methylsulfanylethyl]hydrazine
CID 105214067
4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine
CID 114746902

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine (CID 114745113) is 1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The InChIKey is INQSAEKKRNOFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-2-8-19-13(10-15(16,17)18)12-7-3-5-11-6-4-9-20-14(11)12/h3,5,7,13,19H,2,4,6,8-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine has a molecular weight of 287.32 g/mol, XLogP of 4.00, 5 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-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine is sourced from PubChem (CID 114745113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).