6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine

C13H18BrNO — CID 114709977

IUPAC6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)CC(N)c2cc(Br)ccc2O1
InChIInChI=1S/C13H18BrNO/c1-3-13(4-2)8-11(15)10-7-9(14)5-6-12(10)16-13/h5-7,11H,3-4,8,15H2,1-2H3
InChIKeyKWYAIFNWRNYLLJ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.79
Rot. Bonds2

About 6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine

6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine (PubChem CID 114709977) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine
PubChem CID114709977
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)CC(N)c2cc(Br)ccc2O1
InChIInChI=1S/C13H18BrNO/c1-3-13(4-2)8-11(15)10-7-9(14)5-6-12(10)16-13/h5-7,11H,3-4,8,15H2,1-2H3
InChIKeyKWYAIFNWRNYLLJ-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6-bromo-2-butyl-2-ethyl-3,4-dihydrochromen-4-amine
CID 104947246
2-benzyl-6-bromo-2-ethyl-3,4-dihydrochromen-4-amine
CID 114710150
2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine
CID 68597302
(4S)-6-bromo-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104947179
(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180
6-bromo-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825088
(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947258
(4S)-6-bromo-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947157
6-bromo-2-ethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-ol
CID 114715563
6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710059
(4S)-7-bromo-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104949560
6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114710145

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine (CID 114709977) is 6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine is CCC1(CC)CC(N)c2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine?
The InChIKey is KWYAIFNWRNYLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-13(4-2)8-11(15)10-7-9(14)5-6-12(10)16-13/h5-7,11H,3-4,8,15H2,1-2H3.
What are the key properties of 6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine?
6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine has a molecular weight of 284.20 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114709977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).