7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine

C17H26BrNO2 — CID 114711707

IUPAC7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(CC(C)(C)OC)Oc2cc(Br)ccc21
InChIInChI=1S/C17H26BrNO2/c1-6-19-14-10-17(4,11-16(2,3)20-5)21-15-9-12(18)7-8-13(14)15/h7-9,14,19H,6,10-11H2,1-5H3
InChIKeyGRSZHGWAEIXCMV-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.46
Rot. Bonds5

About 7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine

7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 114711707) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID114711707
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(CC(C)(C)OC)Oc2cc(Br)ccc21
InChIInChI=1S/C17H26BrNO2/c1-6-19-14-10-17(4,11-16(2,3)20-5)21-15-9-12(18)7-8-13(14)15/h7-9,14,19H,6,10-11H2,1-5H3
InChIKeyGRSZHGWAEIXCMV-UHFFFAOYSA-N
XLogP4.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine (CID 114711707) is 7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine is CCNC1CC(C)(CC(C)(C)OC)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is GRSZHGWAEIXCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-6-19-14-10-17(4,11-16(2,3)20-5)21-15-9-12(18)7-8-13(14)15/h7-9,14,19H,6,10-11H2,1-5H3.
What are the key properties of 7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine?
7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 356.30 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114711707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).