7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine

C16H24BrNO2 — CID 114711924

IUPAC7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(C)(COCC)Oc2cc(Br)ccc21
InChIInChI=1S/C16H24BrNO2/c1-4-8-18-14-10-16(3,11-19-5-2)20-15-9-12(17)6-7-13(14)15/h6-7,9,14,18H,4-5,8,10-11H2,1-3H3
InChIKeyYOIXXRWRIKXHAR-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.07
Rot. Bonds6

About 7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine

7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine (PubChem CID 114711924) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine
PubChem CID114711924
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(C)(COCC)Oc2cc(Br)ccc21
InChIInChI=1S/C16H24BrNO2/c1-4-8-18-14-10-16(3,11-19-5-2)20-15-9-12(17)6-7-13(14)15/h6-7,9,14,18H,4-5,8,10-11H2,1-3H3
InChIKeyYOIXXRWRIKXHAR-UHFFFAOYSA-N
XLogP4.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine (CID 114711924) is 7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine is CCCNC1CC(C)(COCC)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine?
The InChIKey is YOIXXRWRIKXHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-4-8-18-14-10-16(3,11-19-5-2)20-15-9-12(17)6-7-13(14)15/h6-7,9,14,18H,4-5,8,10-11H2,1-3H3.
What are the key properties of 7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine?
7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine has a molecular weight of 342.28 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114711924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).