6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine

C15H22BrNO — CID 114713393

IUPAC6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(C(C)CC)Oc2ccc(Br)cc21
InChIInChI=1S/C15H22BrNO/c1-4-10(3)15-9-13(17-5-2)12-8-11(16)6-7-14(12)18-15/h6-8,10,13,15,17H,4-5,9H2,1-3H3
InChIKeyPQCBBDKJBYMLSV-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.30
Rot. Bonds4

About 6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine

6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713393) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713393
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(C(C)CC)Oc2ccc(Br)cc21
InChIInChI=1S/C15H22BrNO/c1-4-10(3)15-9-13(17-5-2)12-8-11(16)6-7-14(12)18-15/h6-8,10,13,15,17H,4-5,9H2,1-3H3
InChIKeyPQCBBDKJBYMLSV-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713390
N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713069
6-bromo-2-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713455
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398
6-bromo-2-(5-bromo-2-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713410
6-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715636
6-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 106676770
6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114713337
6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713385
6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114713374
6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715661

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine (CID 114713393) is 6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(C(C)CC)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PQCBBDKJBYMLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-4-10(3)15-9-13(17-5-2)12-8-11(16)6-7-14(12)18-15/h6-8,10,13,15,17H,4-5,9H2,1-3H3.
What are the key properties of 6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 312.25 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).