6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine

C15H21FN2O — CID 22447226

IUPAC6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine
SMILESCC1(C)Oc2cc(N3CCCC3)c(F)cc2CC1N
InChIInChI=1S/C15H21FN2O/c1-15(2)14(17)8-10-7-11(16)12(9-13(10)19-15)18-5-3-4-6-18/h7,9,14H,3-6,8,17H2,1-2H3
InChIKeyDHRNUGOZOYOZJI-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.47
Rot. Bonds1

About 6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine

6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine (PubChem CID 22447226) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine.

Molecular Properties

Compound Name6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine
PubChem CID22447226
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine
SMILESCC1(C)Oc2cc(N3CCCC3)c(F)cc2CC1N
InChIInChI=1S/C15H21FN2O/c1-15(2)14(17)8-10-7-11(16)12(9-13(10)19-15)18-5-3-4-6-18/h7,9,14H,3-6,8,17H2,1-2H3
InChIKeyDHRNUGOZOYOZJI-UHFFFAOYSA-N
XLogP2.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine?
The IUPAC name of 6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine (CID 22447226) is 6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine.
What is the SMILES notation for 6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine?
The canonical SMILES for 6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine is CC1(C)Oc2cc(N3CCCC3)c(F)cc2CC1N.
What is the InChIKey of 6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine?
The InChIKey is DHRNUGOZOYOZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-15(2)14(17)8-10-7-11(16)12(9-13(10)19-15)18-5-3-4-6-18/h7,9,14H,3-6,8,17H2,1-2H3.
What are the key properties of 6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine?
6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine has a molecular weight of 264.34 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-3-amine is sourced from PubChem (CID 22447226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).