7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine

C15H22FNO — CID 114713698

IUPAC7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCC(C)C1CC(NC)c2ccc(F)cc2O1
InChIInChI=1S/C15H22FNO/c1-4-5-10(2)14-9-13(17-3)12-7-6-11(16)8-15(12)18-14/h6-8,10,13-14,17H,4-5,9H2,1-3H3
InChIKeyOWWHPPIWVYTXIW-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.67
Rot. Bonds4

About 7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine

7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713698) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713698
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCC(C)C1CC(NC)c2ccc(F)cc2O1
InChIInChI=1S/C15H22FNO/c1-4-5-10(2)14-9-13(17-3)12-7-6-11(16)8-15(12)18-14/h6-8,10,13-14,17H,4-5,9H2,1-3H3
InChIKeyOWWHPPIWVYTXIW-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 114713698) is 7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine is CCCC(C)C1CC(NC)c2ccc(F)cc2O1.
What is the InChIKey of 7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OWWHPPIWVYTXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-4-5-10(2)14-9-13(17-3)12-7-6-11(16)8-15(12)18-14/h6-8,10,13-14,17H,4-5,9H2,1-3H3.
What are the key properties of 7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine?
7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 251.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).