2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine

C15H22FNO — CID 114747718

IUPAC2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(F)(CN)c1cccc2c1OCCC2
InChIInChI=1S/C15H22FNO/c1-14(2,3)15(16,10-17)12-8-4-6-11-7-5-9-18-13(11)12/h4,6,8H,5,7,9-10,17H2,1-3H3
InChIKeyRACWKBUKOYESLA-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.18
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine

2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine (PubChem CID 114747718) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine
PubChem CID114747718
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(F)(CN)c1cccc2c1OCCC2
InChIInChI=1S/C15H22FNO/c1-14(2,3)15(16,10-17)12-8-4-6-11-7-5-9-18-13(11)12/h4,6,8H,5,7,9-10,17H2,1-3H3
InChIKeyRACWKBUKOYESLA-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114747537
1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol
CID 114743669
1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine
CID 114743820
2-amino-2-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoropropanoic acid
CID 114746833
(2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 15605604
2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine
CID 114747716
3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine
CID 114747708
2-(2,3-dihydro-1-benzofuran-7-yl)-1-methoxypropan-2-amine
CID 114743871
1-(3,4-dihydro-2H-chromen-8-yl)-1-(furan-3-yl)ethanol
CID 114743643
2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-one
CID 114747981
1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 114743705
7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran
CID 173236217

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine (CID 114747718) is 2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine is CC(C)(C)C(F)(CN)c1cccc2c1OCCC2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The InChIKey is RACWKBUKOYESLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-14(2,3)15(16,10-17)12-8-4-6-11-7-5-9-18-13(11)12/h4,6,8H,5,7,9-10,17H2,1-3H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114747718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).