6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline

C14H20BrN — CID 10636583

IUPAC6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline
SMILESCC(C)N1CCC(C)(C)c2cc(Br)ccc21
InChIInChI=1S/C14H20BrN/c1-10(2)16-8-7-14(3,4)12-9-11(15)5-6-13(12)16/h5-6,9-10H,7-8H2,1-4H3
InChIKeyPRLUJZFVLBPEOL-UHFFFAOYSA-N
MW282.23 g/mol
LogP4.35
Rot. Bonds1

About 6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline

6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline (PubChem CID 10636583) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is 6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline.

Molecular Properties

Compound Name6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline
PubChem CID10636583
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline
SMILESCC(C)N1CCC(C)(C)c2cc(Br)ccc21
InChIInChI=1S/C14H20BrN/c1-10(2)16-8-7-14(3,4)12-9-11(15)5-6-13(12)16/h5-6,9-10H,7-8H2,1-4H3
InChIKeyPRLUJZFVLBPEOL-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline?
The IUPAC name of 6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline (CID 10636583) is 6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline.
What is the SMILES notation for 6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline?
The canonical SMILES for 6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline is CC(C)N1CCC(C)(C)c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline?
The InChIKey is PRLUJZFVLBPEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10(2)16-8-7-14(3,4)12-9-11(15)5-6-13(12)16/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline?
6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline has a molecular weight of 282.23 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinoline is sourced from PubChem (CID 10636583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).