N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine

C13H19BrFN — CID 82963868

IUPACN-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(NCC(C)(C)C)c1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFN/c1-9(16-8-13(2,3)4)11-7-10(14)5-6-12(11)15/h5-7,9,16H,8H2,1-4H3
InChIKeyNOQJLVBRIOKFGI-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.28
Rot. Bonds3

About N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine

N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine (PubChem CID 82963868) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
PubChem CID82963868
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(NCC(C)(C)C)c1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFN/c1-9(16-8-13(2,3)4)11-7-10(14)5-6-12(11)15/h5-7,9,16H,8H2,1-4H3
InChIKeyNOQJLVBRIOKFGI-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 82964931
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
CID 81307148
2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
CID 82964590
3-[1-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963033
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 82964758
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 81302054
1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 82963734
1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 82961644
N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide
CID 81333212
N-[1-(5-bromo-2-fluorophenyl)ethyl]-7-methyloctan-1-amine
CID 82962730
N-[(1R)-1-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 126531678

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine (CID 82963868) is N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine is CC(NCC(C)(C)C)c1cc(Br)ccc1F.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine?
The InChIKey is NOQJLVBRIOKFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-9(16-8-13(2,3)4)11-7-10(14)5-6-12(11)15/h5-7,9,16H,8H2,1-4H3.
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine?
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 82963868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).