N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine

C16H19ClFNO — CID 61079881

IUPACN-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)c1occc1C
InChIInChI=1S/C16H19ClFNO/c1-3-8-19-15(16-11(2)7-9-20-16)10-12-13(17)5-4-6-14(12)18/h4-7,9,15,19H,3,8,10H2,1-2H3
InChIKeyVYSSHXLRFXCHET-UHFFFAOYSA-N
MW295.78 g/mol
LogP4.66
Rot. Bonds6

About N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine

N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 61079881) has the molecular formula C16H19ClFNO and a molecular weight of 295.78 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
PubChem CID61079881
Molecular FormulaC16H19ClFNO
Molecular Weight295.78 g/mol
Exact Mass295.11
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)c1occc1C
InChIInChI=1S/C16H19ClFNO/c1-3-8-19-15(16-11(2)7-9-20-16)10-12-13(17)5-4-6-14(12)18/h4-7,9,15,19H,3,8,10H2,1-2H3
InChIKeyVYSSHXLRFXCHET-UHFFFAOYSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.78
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806129
N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105105691
N-[2-(2-chloro-6-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 63556149
N-[1-(2-chlorofuran-3-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 106691671
N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 104806139
1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698
N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 62387853
N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806069
N-[2-(3-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805826
N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497746
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114650375

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine (CID 61079881) is N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine is CCCNC(Cc1c(F)cccc1Cl)c1occc1C.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is VYSSHXLRFXCHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO/c1-3-8-19-15(16-11(2)7-9-20-16)10-12-13(17)5-4-6-14(12)18/h4-7,9,15,19H,3,8,10H2,1-2H3.
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine has a molecular weight of 295.78 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 61079881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).