1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine

C15H19BrFN — CID 82964118

IUPAC1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine
SMILESCC(NC(C1CC1)C1CC1)c1ccc(Br)cc1F
InChIInChI=1S/C15H19BrFN/c1-9(13-7-6-12(16)8-14(13)17)18-15(10-2-3-10)11-4-5-11/h6-11,15,18H,2-5H2,1H3
InChIKeyXFYFHVYORBZLPQ-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.43
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine

1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine (PubChem CID 82964118) has the molecular formula C15H19BrFN and a molecular weight of 312.23 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine
PubChem CID82964118
Molecular FormulaC15H19BrFN
Molecular Weight312.23 g/mol
Exact Mass311.07
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine
SMILESCC(NC(C1CC1)C1CC1)c1ccc(Br)cc1F
InChIInChI=1S/C15H19BrFN/c1-9(13-7-6-12(16)8-14(13)17)18-15(10-2-3-10)11-4-5-11/h6-11,15,18H,2-5H2,1H3
InChIKeyXFYFHVYORBZLPQ-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine
CID 43204151
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 82963738
N-[1-(4-bromo-2-fluorophenyl)ethyl]thiolan-3-amine
CID 102613010
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-bromophenyl)ethanamine
CID 82963517
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
methyl (2S)-2-[1-(4-bromo-2-fluorophenyl)ethylamino]propanoate
CID 82963202
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82963187
1-(4-bromo-2-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 82963551
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82963889
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 113494561
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107850002

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine (CID 82964118) is 1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine is CC(NC(C1CC1)C1CC1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine?
The InChIKey is XFYFHVYORBZLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN/c1-9(13-7-6-12(16)8-14(13)17)18-15(10-2-3-10)11-4-5-11/h6-11,15,18H,2-5H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine?
1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine has a molecular weight of 312.23 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine is sourced from PubChem (CID 82964118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).