1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine

C16H19ClFNO — CID 105397187

IUPAC1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccco1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H19ClFNO/c1-2-9-19-16(8-6-13-4-3-10-20-13)14-11-12(18)5-7-15(14)17/h3-5,7,10-11,16,19H,2,6,8-9H2,1H3
InChIKeyRJSCKLNFYVBUFF-UHFFFAOYSA-N
MW295.78 g/mol
LogP4.75
Rot. Bonds7

About 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine

1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine (PubChem CID 105397187) has the molecular formula C16H19ClFNO and a molecular weight of 295.78 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
PubChem CID105397187
Molecular FormulaC16H19ClFNO
Molecular Weight295.78 g/mol
Exact Mass295.11
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccco1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H19ClFNO/c1-2-9-19-16(8-6-13-4-3-10-20-13)14-11-12(18)5-7-15(14)17/h3-5,7,10-11,16,19H,2,6,8-9H2,1H3
InChIKeyRJSCKLNFYVBUFF-UHFFFAOYSA-N
XLogP4.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.78
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105397390
3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 105146576
[1-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)propyl]hydrazine
CID 105302143
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105143097
1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105097322
N-[2-(2-chloro-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 102618825
1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 105395205
1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine
CID 63420157
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105396931
1-(2-chloro-5-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105394999
1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 103053057
N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105087868

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine (CID 105397187) is 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine is CCCNC(CCc1ccco1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
The InChIKey is RJSCKLNFYVBUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO/c1-2-9-19-16(8-6-13-4-3-10-20-13)14-11-12(18)5-7-15(14)17/h3-5,7,10-11,16,19H,2,6,8-9H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine has a molecular weight of 295.78 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 105397187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).