N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine

C15H16FNO — CID 106886738

IUPACN-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(F)c(-c2ccoc2CNC2CC2)c1
InChIInChI=1S/C15H16FNO/c1-10-2-5-14(16)13(8-10)12-6-7-18-15(12)9-17-11-3-4-11/h2,5-8,11,17H,3-4,9H2,1H3
InChIKeyOQSUBVPEXBUPOO-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.65
Rot. Bonds4

About N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine

N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106886738) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106886738
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC NameN-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(F)c(-c2ccoc2CNC2CC2)c1
InChIInChI=1S/C15H16FNO/c1-10-2-5-14(16)13(8-10)12-6-7-18-15(12)9-17-11-3-4-11/h2,5-8,11,17H,3-4,9H2,1H3
InChIKeyOQSUBVPEXBUPOO-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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Related Compounds

N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 106943314
N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 54911691
N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887054
N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine
CID 115632214
N-[[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888899
N-[[3-(3-propylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888027
N-[[3-(2-cyclobutylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888100
N-[[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107932024
N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559009
N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 115652704
N-[[3-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]cyclopropanamine
CID 106888611
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethyl-3-methylaniline
CID 62426937

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine (CID 106886738) is N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine is Cc1ccc(F)c(-c2ccoc2CNC2CC2)c1.
What is the InChIKey of N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is OQSUBVPEXBUPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-2-5-14(16)13(8-10)12-6-7-18-15(12)9-17-11-3-4-11/h2,5-8,11,17H,3-4,9H2,1H3.
What are the key properties of N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(2-fluoro-5-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-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106886738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).