N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine

C15H16BrClFNO — CID 106858502

IUPACN-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1Cl)c1ccoc1Br
InChIInChI=1S/C15H16BrClFNO/c1-2-7-19-13(11-6-8-20-15(11)16)9-10-4-3-5-12(18)14(10)17/h3-6,8,13,19H,2,7,9H2,1H3
InChIKeyWZJRPNRDOMDFRI-UHFFFAOYSA-N
MW360.65 g/mol
LogP5.12
Rot. Bonds6

About N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine

N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine (PubChem CID 106858502) has the molecular formula C15H16BrClFNO and a molecular weight of 360.65 g/mol. Its IUPAC name is N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine
PubChem CID106858502
Molecular FormulaC15H16BrClFNO
Molecular Weight360.65 g/mol
Exact Mass359.01
IUPAC NameN-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1Cl)c1ccoc1Br
InChIInChI=1S/C15H16BrClFNO/c1-2-7-19-13(11-6-8-20-15(11)16)9-10-4-3-5-12(18)14(10)17/h3-6,8,13,19H,2,7,9H2,1H3
InChIKeyWZJRPNRDOMDFRI-UHFFFAOYSA-N
XLogP5.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.65
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106854725
N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
CID 106858311
1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 106854724
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790179
1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106854656
N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 106857656
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 106854675
1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 106856969
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032691
N-[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105178875
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine (CID 106858502) is N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(F)c1Cl)c1ccoc1Br.
What is the InChIKey of N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is WZJRPNRDOMDFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClFNO/c1-2-7-19-13(11-6-8-20-15(11)16)9-10-4-3-5-12(18)14(10)17/h3-6,8,13,19H,2,7,9H2,1H3.
What are the key properties of N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine?
N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 360.65 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 106858502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).