N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine

C15H15ClFNO2 — CID 62452095

IUPACN-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(OCc2ccoc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C15H15ClFNO2/c16-13-7-11(17)1-4-14(13)20-9-10-5-6-19-15(10)8-18-12-2-3-12/h1,4-7,12,18H,2-3,8-9H2
InChIKeyRSVXOZNMUUBQHA-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.90
Rot. Bonds6

About N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine

N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62452095) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62452095
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC NameN-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(OCc2ccoc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C15H15ClFNO2/c16-13-7-11(17)1-4-14(13)20-9-10-5-6-19-15(10)8-18-12-2-3-12/h1,4-7,12,18H,2-3,8-9H2
InChIKeyRSVXOZNMUUBQHA-UHFFFAOYSA-N
XLogP3.90
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2-chloro-4-fluorophenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558290
N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62486032
N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452280
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 107661302
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62459727
N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62449854
N-[[2-[(4-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62453268
N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62449785
N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 102615167
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294375
N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696450
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696476

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine (CID 62452095) is N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine is Fc1ccc(OCc2ccoc2CNC2CC2)c(Cl)c1.
What is the InChIKey of N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is RSVXOZNMUUBQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c16-13-7-11(17)1-4-14(13)20-9-10-5-6-19-15(10)8-18-12-2-3-12/h1,4-7,12,18H,2-3,8-9H2.
What are the key properties of N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 295.74 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62452095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).