N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine

C13H18BrFN2 — CID 66215692

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1ccc(F)cc1Br)C1CNC1
InChIInChI=1S/C13H18BrFN2/c1-2-5-17(12-7-16-8-12)9-10-3-4-11(15)6-13(10)14/h3-4,6,12,16H,2,5,7-9H2,1H3
InChIKeyVHAYNTCNMBOECU-UHFFFAOYSA-N
MW301.20 g/mol
LogP2.77
Rot. Bonds5

About N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine

N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine (PubChem CID 66215692) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine
PubChem CID66215692
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1ccc(F)cc1Br)C1CNC1
InChIInChI=1S/C13H18BrFN2/c1-2-5-17(12-7-16-8-12)9-10-3-4-11(15)6-13(10)14/h3-4,6,12,16H,2,5,7-9H2,1H3
InChIKeyVHAYNTCNMBOECU-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806488
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932804
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63636123
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119933025
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63637857
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936
5-fluoro-2-[[propyl(pyrrolidin-3-yl)amino]methyl]benzonitrile
CID 63304215
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
N-[(3-bromofuran-2-yl)methyl]-N-propylazetidin-3-amine
CID 106885984
N-[(4-bromothiophen-2-yl)methyl]-N-propylazetidin-3-amine
CID 66183275

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine (CID 66215692) is N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine is CCCN(Cc1ccc(F)cc1Br)C1CNC1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine?
The InChIKey is VHAYNTCNMBOECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-2-5-17(12-7-16-8-12)9-10-3-4-11(15)6-13(10)14/h3-4,6,12,16H,2,5,7-9H2,1H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine?
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine has a molecular weight of 301.20 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine is sourced from PubChem (CID 66215692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).