7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine

C17H26BrNO — CID 114711775

IUPAC7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine
SMILESCCCCC1(CC)CC(NCC)c2ccc(Br)cc2O1
InChIInChI=1S/C17H26BrNO/c1-4-7-10-17(5-2)12-15(19-6-3)14-9-8-13(18)11-16(14)20-17/h8-9,11,15,19H,4-7,10,12H2,1-3H3
InChIKeyWSYCSXUXQWZLII-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.22
Rot. Bonds6

About 7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine

7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine (PubChem CID 114711775) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine
PubChem CID114711775
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine
SMILESCCCCC1(CC)CC(NCC)c2ccc(Br)cc2O1
InChIInChI=1S/C17H26BrNO/c1-4-7-10-17(5-2)12-15(19-6-3)14-9-8-13(18)11-16(14)20-17/h8-9,11,15,19H,4-7,10,12H2,1-3H3
InChIKeyWSYCSXUXQWZLII-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.22
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
7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114711811
7-bromo-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-amine
CID 114711827
(4S)-6-bromo-2-butyl-2-ethyl-3,4-dihydrochromen-4-amine
CID 104947246
7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825119
(4S)-7-bromo-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104949560
7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine
CID 114711787
7-butan-2-yloxy-N,2,2-triethyl-3,4-dihydrochromen-4-amine
CID 82462571
7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114711707
6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114713374
7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
CID 114711803
2,2-diethyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462447

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine (CID 114711775) is 7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine is CCCCC1(CC)CC(NCC)c2ccc(Br)cc2O1.
What is the InChIKey of 7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine?
The InChIKey is WSYCSXUXQWZLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-4-7-10-17(5-2)12-15(19-6-3)14-9-8-13(18)11-16(14)20-17/h8-9,11,15,19H,4-7,10,12H2,1-3H3.
What are the key properties of 7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine?
7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine has a molecular weight of 340.31 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114711775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).