1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine

C15H17ClFNO — CID 63084110

IUPAC1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2cc(Cl)ccc2F)o1
InChIInChI=1S/C15H17ClFNO/c1-3-18-10(2)8-12-5-7-15(19-12)13-9-11(16)4-6-14(13)17/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyORVLAXQTMNWDOC-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.28
Rot. Bonds5

About 1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine

1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine (PubChem CID 63084110) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is 1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
PubChem CID63084110
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC Name1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2cc(Cl)ccc2F)o1
InChIInChI=1S/C15H17ClFNO/c1-3-18-10(2)8-12-5-7-15(19-12)13-9-11(16)4-6-14(13)17/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyORVLAXQTMNWDOC-UHFFFAOYSA-N
XLogP4.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107615154
N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine
CID 63398766
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107577105
N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine
CID 107645719
1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 81274606
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107626829
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398553
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084440
1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085274
N-ethyl-1-[5-(2-ethylphenyl)furan-2-yl]propan-2-amine
CID 63085626
1-[5-[4-chloro-2-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine
CID 63084101
N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine
CID 63085650

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The IUPAC name of 1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine (CID 63084110) is 1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine.
What is the SMILES notation for 1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The canonical SMILES for 1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine is CCNC(C)Cc1ccc(-c2cc(Cl)ccc2F)o1.
What is the InChIKey of 1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The InChIKey is ORVLAXQTMNWDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO/c1-3-18-10(2)8-12-5-7-15(19-12)13-9-11(16)4-6-14(13)17/h4-7,9-10,18H,3,8H2,1-2H3.
What are the key properties of 1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine has a molecular weight of 281.76 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine is sourced from PubChem (CID 63084110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).