(4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine

C16H24FNO — CID 104944178

IUPAC(4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
SMILESCCC(C)CC1(CC)C[C@H](N)c2cc(F)ccc2O1
InChIInChI=1S/C16H24FNO/c1-4-11(3)9-16(5-2)10-14(18)13-8-12(17)6-7-15(13)19-16/h6-8,11,14H,4-5,9-10,18H2,1-3H3/t11?,14-,16?/m0/s1
InChIKeyNKLCLDXEZWRPFS-WMEQCIOUSA-N
MW265.37 g/mol
LogP4.19
Rot. Bonds4

About (4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine

(4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine (PubChem CID 104944178) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is (4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
PubChem CID104944178
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name(4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
SMILESCCC(C)CC1(CC)C[C@H](N)c2cc(F)ccc2O1
InChIInChI=1S/C16H24FNO/c1-4-11(3)9-16(5-2)10-14(18)13-8-12(17)6-7-15(13)19-16/h6-8,11,14H,4-5,9-10,18H2,1-3H3/t11?,14-,16?/m0/s1
InChIKeyNKLCLDXEZWRPFS-WMEQCIOUSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.19
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-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104946814
(4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 68594998
6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114708664
(4S)-2-ethyl-7-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951969
(4R)-2-ethyl-7-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951740
2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 114708780
(4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944803
(4S)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944611
2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine
CID 114708695
(4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104950454
6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine
CID 114709977

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of (4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine (CID 104944178) is (4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine is CCC(C)CC1(CC)C[C@H](N)c2cc(F)ccc2O1.
What is the InChIKey of (4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine?
The InChIKey is NKLCLDXEZWRPFS-WMEQCIOUSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-11(3)9-16(5-2)10-14(18)13-8-12(17)6-7-15(13)19-16/h6-8,11,14H,4-5,9-10,18H2,1-3H3/t11?,14-,16?/m0/s1.
What are the key properties of (4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine?
(4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine has a molecular weight of 265.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 104944178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).