N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine

C18H20FNO — CID 79329173

IUPACN-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine
SMILESCCC(=Cc1ccc(-c2ccc(F)cc2)o1)CNC1CC1
InChIInChI=1S/C18H20FNO/c1-2-13(12-20-16-7-8-16)11-17-9-10-18(21-17)14-3-5-15(19)6-4-14/h3-6,9-11,16,20H,2,7-8,12H2,1H3
InChIKeyISMLFUGTJJRXJM-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.63
Rot. Bonds6

About N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine

N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine (PubChem CID 79329173) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine
PubChem CID79329173
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine
SMILESCCC(=Cc1ccc(-c2ccc(F)cc2)o1)CNC1CC1
InChIInChI=1S/C18H20FNO/c1-2-13(12-20-16-7-8-16)11-17-9-10-18(21-17)14-3-5-15(19)6-4-14/h3-6,9-11,16,20H,2,7-8,12H2,1H3
InChIKeyISMLFUGTJJRXJM-UHFFFAOYSA-N
XLogP4.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine?
The IUPAC name of N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine (CID 79329173) is N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine is CCC(=Cc1ccc(-c2ccc(F)cc2)o1)CNC1CC1.
What is the InChIKey of N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine?
The InChIKey is ISMLFUGTJJRXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-2-13(12-20-16-7-8-16)11-17-9-10-18(21-17)14-3-5-15(19)6-4-14/h3-6,9-11,16,20H,2,7-8,12H2,1H3.
What are the key properties of N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine?
N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine has a molecular weight of 285.36 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]butyl]cyclopropanamine is sourced from PubChem (CID 79329173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).