1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C16H23BrFN — CID 82963734

IUPAC1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC(NCC1C(C)(C)C1(C)C)c1cc(Br)ccc1F
InChIInChI=1S/C16H23BrFN/c1-10(12-8-11(17)6-7-13(12)18)19-9-14-15(2,3)16(14,4)5/h6-8,10,14,19H,9H2,1-5H3
InChIKeyRDIVPZHBFKICDS-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.92
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 82963734) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID82963734
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC(NCC1C(C)(C)C1(C)C)c1cc(Br)ccc1F
InChIInChI=1S/C16H23BrFN/c1-10(12-8-11(17)6-7-13(12)18)19-9-14-15(2,3)16(14,4)5/h6-8,10,14,19H,9H2,1-5H3
InChIKeyRDIVPZHBFKICDS-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82962734
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 82963868
1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
CID 81307148
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
N-[1-(5-bromo-2-fluorophenyl)ethyl]-7-methyloctan-1-amine
CID 82962730
1-[[1-(5-bromo-2-fluorophenyl)ethylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 82963406
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
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 115721526
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 81302054
1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine
CID 82962799

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 82963734) is 1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CC(NCC1C(C)(C)C1(C)C)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is RDIVPZHBFKICDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-10(12-8-11(17)6-7-13(12)18)19-9-14-15(2,3)16(14,4)5/h6-8,10,14,19H,9H2,1-5H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 328.27 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 82963734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).