1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine

C10H12BrFN2 — CID 65245079

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine
SMILESNC1CN(Cc2ccc(Br)cc2F)C1
InChIInChI=1S/C10H12BrFN2/c11-8-2-1-7(10(12)3-8)4-14-5-9(13)6-14/h1-3,9H,4-6,13H2
InChIKeyWZDJFHJTDFIHFG-UHFFFAOYSA-N
MW259.12 g/mol
LogP1.73
Rot. Bonds2

About 1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine

1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine (PubChem CID 65245079) has the molecular formula C10H12BrFN2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine
PubChem CID65245079
Molecular FormulaC10H12BrFN2
Molecular Weight259.12 g/mol
Exact Mass258.02
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine
SMILESNC1CN(Cc2ccc(Br)cc2F)C1
InChIInChI=1S/C10H12BrFN2/c11-8-2-1-7(10(12)3-8)4-14-5-9(13)6-14/h1-3,9H,4-6,13H2
InChIKeyWZDJFHJTDFIHFG-UHFFFAOYSA-N
XLogP1.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910008
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine
CID 43438739
(4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol
CID 159320110
1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine
CID 131049147
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915607
1-[(4-bromo-2-fluorophenyl)methyl]-3-(chloromethyl)piperidine
CID 55183140
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 60644953
[(3R,4R)-1-[(4-bromo-2-fluorophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759467
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120776732
1-[(4-bromo-2-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165088
1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine
CID 114857925
1-[(4-bromo-2-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959961

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine (CID 65245079) is 1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine is NC1CN(Cc2ccc(Br)cc2F)C1.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine?
The InChIKey is WZDJFHJTDFIHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2/c11-8-2-1-7(10(12)3-8)4-14-5-9(13)6-14/h1-3,9H,4-6,13H2.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine?
1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine has a molecular weight of 259.12 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine is sourced from PubChem (CID 65245079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).