(4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine

C15H22FNO — CID 68594998

IUPAC(4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
SMILESCCCC1(CCC)C[C@@H](N)c2cc(F)ccc2O1
InChIInChI=1S/C15H22FNO/c1-3-7-15(8-4-2)10-13(17)12-9-11(16)5-6-14(12)18-15/h5-6,9,13H,3-4,7-8,10,17H2,1-2H3/t13-/m1/s1
InChIKeyYRFFFECYMDMKJW-CYBMUJFWSA-N
MW251.34 g/mol
LogP3.95
Rot. Bonds4

About (4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine

(4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine (PubChem CID 68594998) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
PubChem CID68594998
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
SMILESCCCC1(CCC)C[C@@H](N)c2cc(F)ccc2O1
InChIInChI=1S/C15H22FNO/c1-3-7-15(8-4-2)10-13(17)12-9-11(16)5-6-14(12)18-15/h5-6,9,13H,3-4,7-8,10,17H2,1-2H3/t13-/m1/s1
InChIKeyYRFFFECYMDMKJW-CYBMUJFWSA-N
XLogP3.95
TPSA35.25 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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine
CID 68597302
(4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944178
6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114708664
2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine
CID 114708695
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944151
(4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825097
6-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 114708653
(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 68595565
6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine
CID 114709977
6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
(4S)-6-bromo-2-butyl-2-ethyl-3,4-dihydrochromen-4-amine
CID 104947246
(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104947950

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine?
The IUPAC name of (4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine (CID 68594998) is (4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine is CCCC1(CCC)C[C@@H](N)c2cc(F)ccc2O1.
What is the InChIKey of (4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine?
The InChIKey is YRFFFECYMDMKJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-7-15(8-4-2)10-13(17)12-9-11(16)5-6-14(12)18-15/h5-6,9,13H,3-4,7-8,10,17H2,1-2H3/t13-/m1/s1.
What are the key properties of (4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine?
(4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine has a molecular weight of 251.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 68594998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).