1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine

C13H13ClFNO — CID 63085980

IUPAC1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(-c2ccc(F)cc2Cl)o1
InChIInChI=1S/C13H13ClFNO/c1-8(16)6-10-3-5-13(17-10)11-4-2-9(15)7-12(11)14/h2-5,7-8H,6,16H2,1H3
InChIKeySPGGSPBSJDRDGS-UHFFFAOYSA-N
MW253.70 g/mol
LogP3.63
Rot. Bonds3

About 1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine

1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine (PubChem CID 63085980) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine
PubChem CID63085980
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(-c2ccc(F)cc2Cl)o1
InChIInChI=1S/C13H13ClFNO/c1-8(16)6-10-3-5-13(17-10)11-4-2-9(15)7-12(11)14/h2-5,7-8H,6,16H2,1H3
InChIKeySPGGSPBSJDRDGS-UHFFFAOYSA-N
XLogP3.63
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-chloro-4-nitrophenyl)furan-2-yl]propan-2-amine
CID 63085115
N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 43624793
1-[5-(2,3-dichlorophenyl)furan-2-yl]propan-2-amine
CID 55180544
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol
CID 107607605
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084755
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine
CID 63086501
1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanamine
CID 107530721
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol
CID 107627214
ethyl 2-amino-3-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propanoate
CID 170884863
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398553
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline
CID 1446213

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine?
The IUPAC name of 1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine (CID 63085980) is 1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine is CC(N)Cc1ccc(-c2ccc(F)cc2Cl)o1.
What is the InChIKey of 1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine?
The InChIKey is SPGGSPBSJDRDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c1-8(16)6-10-3-5-13(17-10)11-4-2-9(15)7-12(11)14/h2-5,7-8H,6,16H2,1H3.
What are the key properties of 1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine?
1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine has a molecular weight of 253.70 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine is sourced from PubChem (CID 63085980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).