N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine

C15H16BrClFNO — CID 103052766

IUPACN-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)c1ccc(Br)o1
InChIInChI=1S/C15H16BrClFNO/c1-2-7-19-13(14-5-6-15(16)20-14)9-10-8-11(17)3-4-12(10)18/h3-6,8,13,19H,2,7,9H2,1H3
InChIKeyZTAWQYGBGWLSPR-UHFFFAOYSA-N
MW360.65 g/mol
LogP5.12
Rot. Bonds6

About N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine

N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 103052766) has the molecular formula C15H16BrClFNO and a molecular weight of 360.65 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
PubChem CID103052766
Molecular FormulaC15H16BrClFNO
Molecular Weight360.65 g/mol
Exact Mass359.01
IUPAC NameN-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)c1ccc(Br)o1
InChIInChI=1S/C15H16BrClFNO/c1-2-7-19-13(14-5-6-15(16)20-14)9-10-8-11(17)3-4-12(10)18/h3-6,8,13,19H,2,7,9H2,1H3
InChIKeyZTAWQYGBGWLSPR-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-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 103048611
N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105412533
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103053247
N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103048462
N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103052896
N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine
CID 103053234
N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 115826237
2-(4-bromo-2-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115844705
N-[2-(4-bromo-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115844669
N-[2-(5-chloro-2-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 103048671
N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103053112
N-[2-(4-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethyl]propan-1-amine
CID 107969331

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine (CID 103052766) is N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(Cl)ccc1F)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is ZTAWQYGBGWLSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClFNO/c1-2-7-19-13(14-5-6-15(16)20-14)9-10-8-11(17)3-4-12(10)18/h3-6,8,13,19H,2,7,9H2,1H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine?
N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-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-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 103052766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).