3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol

C16H24FNO2 — CID 82187377

IUPAC3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCCCCN(C)C1C(O)c2cc(F)ccc2OC1(C)C
InChIInChI=1S/C16H24FNO2/c1-5-6-9-18(4)15-14(19)12-10-11(17)7-8-13(12)20-16(15,2)3/h7-8,10,14-15,19H,5-6,9H2,1-4H3
InChIKeyHKUZVXFTPSIFAV-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.13
Rot. Bonds4

About 3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol

3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 82187377) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID82187377
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCCCCN(C)C1C(O)c2cc(F)ccc2OC1(C)C
InChIInChI=1S/C16H24FNO2/c1-5-6-9-18(4)15-14(19)12-10-11(17)7-8-13(12)20-16(15,2)3/h7-8,10,14-15,19H,5-6,9H2,1-4H3
InChIKeyHKUZVXFTPSIFAV-UHFFFAOYSA-N
XLogP3.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 82187377) is 3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol is CCCCN(C)C1C(O)c2cc(F)ccc2OC1(C)C.
What is the InChIKey of 3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is HKUZVXFTPSIFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-5-6-9-18(4)15-14(19)12-10-11(17)7-8-13(12)20-16(15,2)3/h7-8,10,14-15,19H,5-6,9H2,1-4H3.
What are the key properties of 3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 281.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 82187377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).