N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine

C13H18BrFN2 — CID 66183997

IUPACN-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine
SMILESCCN(C1CNC1)C(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H18BrFN2/c1-3-17(11-7-16-8-11)9(2)10-4-5-13(15)12(14)6-10/h4-6,9,11,16H,3,7-8H2,1-2H3
InChIKeyUXJAAOIDHQIMDC-UHFFFAOYSA-N
MW301.20 g/mol
LogP2.94
Rot. Bonds4

About N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine

N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine (PubChem CID 66183997) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine
PubChem CID66183997
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine
SMILESCCN(C1CNC1)C(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H18BrFN2/c1-3-17(11-7-16-8-11)9(2)10-4-5-13(15)12(14)6-10/h4-6,9,11,16H,3,7-8H2,1-2H3
InChIKeyUXJAAOIDHQIMDC-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55205536
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine
CID 66183131
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172117
N-ethyl-N-(1-pyridin-4-ylethyl)azetidin-3-amine
CID 66181652
N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine
CID 63643987
N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62915186
1-(3-bromo-4-fluorophenyl)-N-cyclohexyl-N-ethylethane-1,2-diamine
CID 43180412
N-ethyl-N-[1-(3-nitrophenyl)ethyl]azetidin-3-amine
CID 66182931
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230545
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55204008
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 55250096
N-[1-(5-bromo-2-fluorophenyl)ethyl]-N-methylazetidin-3-amine
CID 82970691

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine (CID 66183997) is N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine is CCN(C1CNC1)C(C)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine?
The InChIKey is UXJAAOIDHQIMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-3-17(11-7-16-8-11)9(2)10-4-5-13(15)12(14)6-10/h4-6,9,11,16H,3,7-8H2,1-2H3.
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine?
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine has a molecular weight of 301.20 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine is sourced from PubChem (CID 66183997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).