6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine

C17H26BrNO — CID 114713216

IUPAC6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
SMILESCCC(C)CC1(CC)CC(NC)c2cc(Br)ccc2O1
InChIInChI=1S/C17H26BrNO/c1-5-12(3)10-17(6-2)11-15(19-4)14-9-13(18)7-8-16(14)20-17/h7-9,12,15,19H,5-6,10-11H2,1-4H3
InChIKeyLUJZETYEJZRQFD-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.08
Rot. Bonds5

About 6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine

6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine (PubChem CID 114713216) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
PubChem CID114713216
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
SMILESCCC(C)CC1(CC)CC(NC)c2cc(Br)ccc2O1
InChIInChI=1S/C17H26BrNO/c1-5-12(3)10-17(6-2)11-15(19-4)14-9-13(18)7-8-16(14)20-17/h7-9,12,15,19H,5-6,10-11H2,1-4H3
InChIKeyLUJZETYEJZRQFD-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine
CID 114713433
2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
CID 82462579
(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
6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713327
6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713221
(4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944178
6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825150
6-bromo-2-ethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-ol
CID 114715563
6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713143
6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114713186
(4S)-2-ethyl-6-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104946814

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine (CID 114713216) is 6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine is CCC(C)CC1(CC)CC(NC)c2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine?
The InChIKey is LUJZETYEJZRQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-5-12(3)10-17(6-2)11-15(19-4)14-9-13(18)7-8-16(14)20-17/h7-9,12,15,19H,5-6,10-11H2,1-4H3.
What are the key properties of 6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine?
6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine has a molecular weight of 340.31 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114713216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).