N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine

C16H19BrFNO — CID 104805965

IUPACN-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1Br)c1occc1C
InChIInChI=1S/C16H19BrFNO/c1-3-7-19-15(16-11(2)6-8-20-16)9-12-4-5-13(18)10-14(12)17/h4-6,8,10,15,19H,3,7,9H2,1-2H3
InChIKeySXRJOHXEOBDHIV-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.77
Rot. Bonds6

About N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine

N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 104805965) has the molecular formula C16H19BrFNO and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
PubChem CID104805965
Molecular FormulaC16H19BrFNO
Molecular Weight340.24 g/mol
Exact Mass339.06
IUPAC NameN-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1Br)c1occc1C
InChIInChI=1S/C16H19BrFNO/c1-3-7-19-15(16-11(2)6-8-20-16)9-12-4-5-13(18)10-14(12)17/h4-6,8,10,15,19H,3,7,9H2,1-2H3
InChIKeySXRJOHXEOBDHIV-UHFFFAOYSA-N
XLogP4.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105269345
N-[2-(3-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805826
N-[2-(2-bromo-4-fluorophenyl)-1-phenylethyl]propan-1-amine
CID 63413016
N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806129
2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine
CID 104805432
N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63944020
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 62603776
N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806069
[2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105269473
N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 113455397
N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine
CID 79707449
1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine (CID 104805965) is N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1Br)c1occc1C.
What is the InChIKey of N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is SXRJOHXEOBDHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNO/c1-3-7-19-15(16-11(2)6-8-20-16)9-12-4-5-13(18)10-14(12)17/h4-6,8,10,15,19H,3,7,9H2,1-2H3.
What are the key properties of N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine has a molecular weight of 340.24 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104805965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).