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

C10H12BrFN2 — CID 65244841

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine
SMILESNC1CN(Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C10H12BrFN2/c11-9-3-7(1-2-10(9)12)4-14-5-8(13)6-14/h1-3,8H,4-6,13H2
InChIKeyVDBUNRIDDJUGDS-UHFFFAOYSA-N
MW259.12 g/mol
LogP1.73
Rot. Bonds2

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

1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine (PubChem CID 65244841) has the molecular formula C10H12BrFN2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine
PubChem CID65244841
Molecular FormulaC10H12BrFN2
Molecular Weight259.12 g/mol
Exact Mass258.02
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine
SMILESNC1CN(Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C10H12BrFN2/c11-9-3-7(1-2-10(9)12)4-14-5-8(13)6-14/h1-3,8H,4-6,13H2
InChIKeyVDBUNRIDDJUGDS-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-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917749
1-[(3-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388237
[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915534
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
[(3S)-1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 40514424
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
CID 765192
1-[(3-bromo-4-fluorophenyl)methyl]-4-cyclopropylpiperazine
CID 47646907
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986177
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924261
1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575586
1-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-1,4-diazepane
CID 64859199
1-[(3-bromo-4-fluorophenyl)methyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77039195

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine (CID 65244841) is 1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine is NC1CN(Cc2ccc(F)c(Br)c2)C1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine?
The InChIKey is VDBUNRIDDJUGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2/c11-9-3-7(1-2-10(9)12)4-14-5-8(13)6-14/h1-3,8H,4-6,13H2.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine?
1-[(3-bromo-4-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-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine is sourced from PubChem (CID 65244841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).