6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine

C16H24BrNO — CID 115402563

IUPAC6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(C)Oc2c(C(C)C)cc(Br)cc21
InChIInChI=1S/C16H24BrNO/c1-6-18-14-9-16(4,5)19-15-12(10(2)3)7-11(17)8-13(14)15/h7-8,10,14,18H,6,9H2,1-5H3
InChIKeyLPLZBFOBQXAQKK-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.78
Rot. Bonds3

About 6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine

6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine (PubChem CID 115402563) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
PubChem CID115402563
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(C)Oc2c(C(C)C)cc(Br)cc21
InChIInChI=1S/C16H24BrNO/c1-6-18-14-9-16(4,5)19-15-12(10(2)3)7-11(17)8-13(14)15/h7-8,10,14,18H,6,9H2,1-5H3
InChIKeyLPLZBFOBQXAQKK-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
CID 113302997
N-ethyl-2,2,8-trimethyl-5-propan-2-yl-3,4-dihydrochromen-4-amine
CID 64696229
8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine
CID 64696430
N,6-diethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107667295
6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114713374
7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114711811
5-bromo-8-chloro-N-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64698713
5,7-dibromo-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 64719518
N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64696643
5-bromo-N-methoxy-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 115402549
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol
CID 115403013
6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 63213338

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine (CID 115402563) is 6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine is CCNC1CC(C)(C)Oc2c(C(C)C)cc(Br)cc21.
What is the InChIKey of 6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine?
The InChIKey is LPLZBFOBQXAQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-6-18-14-9-16(4,5)19-15-12(10(2)3)7-11(17)8-13(14)15/h7-8,10,14,18H,6,9H2,1-5H3.
What are the key properties of 6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine?
6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine has a molecular weight of 326.28 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 115402563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).