N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine

C15H16FNO — CID 43624821

IUPACN-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C15H16FNO/c1-10-8-11(16)2-6-14(10)15-7-5-13(18-15)9-17-12-3-4-12/h2,5-8,12,17H,3-4,9H2,1H3
InChIKeyHIIFEWCEFNXOIZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.65
Rot. Bonds4

About N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 43624821) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID43624821
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC NameN-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C15H16FNO/c1-10-8-11(16)2-6-14(10)15-7-5-13(18-15)9-17-12-3-4-12/h2,5-8,12,17H,3-4,9H2,1H3
InChIKeyHIIFEWCEFNXOIZ-UHFFFAOYSA-N
XLogP3.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine (CID 43624821) is N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine is Cc1cc(F)ccc1-c1ccc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is HIIFEWCEFNXOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-8-11(16)2-6-14(10)15-7-5-13(18-15)9-17-12-3-4-12/h2,5-8,12,17H,3-4,9H2,1H3.
What are the key properties of N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 245.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 43624821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).