N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine

C15H15Cl2NO2 — CID 62485051

IUPACN-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(OCc2cc(CNC3CC3)co2)cc1Cl
InChIInChI=1S/C15H15Cl2NO2/c16-14-4-3-12(6-15(14)17)20-9-13-5-10(8-19-13)7-18-11-1-2-11/h3-6,8,11,18H,1-2,7,9H2
InChIKeyVFADQJJVMKAAJC-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.42
Rot. Bonds6

About N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine

N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 62485051) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID62485051
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC NameN-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(OCc2cc(CNC3CC3)co2)cc1Cl
InChIInChI=1S/C15H15Cl2NO2/c16-14-4-3-12(6-15(14)17)20-9-13-5-10(8-19-13)7-18-11-1-2-11/h3-6,8,11,18H,1-2,7,9H2
InChIKeyVFADQJJVMKAAJC-UHFFFAOYSA-N
XLogP4.42
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496125
N-[[5-[(2-chloro-4-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62673103
N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 65125603
N-[[4-[(3,4-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62486306
N-[[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 116803383
N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62451891
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107286141
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62484964
N-[[5-[(4-bromophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 82831319
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine (CID 62485051) is N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine is Clc1ccc(OCc2cc(CNC3CC3)co2)cc1Cl.
What is the InChIKey of N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is VFADQJJVMKAAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c16-14-4-3-12(6-15(14)17)20-9-13-5-10(8-19-13)7-18-11-1-2-11/h3-6,8,11,18H,1-2,7,9H2.
What are the key properties of N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 312.20 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62485051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).