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

C16H24BrNO — CID 114711811

IUPAC7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(CC(C)C)Oc2cc(Br)ccc21
InChIInChI=1S/C16H24BrNO/c1-5-18-14-10-16(4,9-11(2)3)19-15-8-12(17)6-7-13(14)15/h6-8,11,14,18H,5,9-10H2,1-4H3
InChIKeyFZUVGJGDBLWBLB-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.69
Rot. Bonds4

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

7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine (PubChem CID 114711811) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
PubChem CID114711811
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(CC(C)C)Oc2cc(Br)ccc21
InChIInChI=1S/C16H24BrNO/c1-5-18-14-10-16(4,9-11(2)3)19-15-8-12(17)6-7-13(14)15/h6-8,11,14,18H,5,9-10H2,1-4H3
InChIKeyFZUVGJGDBLWBLB-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114711707
N,2-diethyl-2-methyl-7-(2-methylpropoxy)-3,4-dihydrochromen-4-amine
CID 82462320
7-bromo-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-amine
CID 114711827
7-bromo-3'-ethoxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825119
7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine
CID 114711775
7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine
CID 114711787
7-bromo-2-(ethoxymethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114711924
6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114713374
6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114711494
7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
CID 114711803
N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868375
7-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462317

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine (CID 114711811) is 7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine is CCNC1CC(C)(CC(C)C)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The InChIKey is FZUVGJGDBLWBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-5-18-14-10-16(4,9-11(2)3)19-15-8-12(17)6-7-13(14)15/h6-8,11,14,18H,5,9-10H2,1-4H3.
What are the key properties of 7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine has a molecular weight of 326.28 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114711811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).