N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine

C15H15Cl2NO2 — CID 62449785

IUPACN-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESClc1cccc(OCc2occc2CNC2CC2)c1Cl
InChIInChI=1S/C15H15Cl2NO2/c16-12-2-1-3-13(15(12)17)20-9-14-10(6-7-19-14)8-18-11-4-5-11/h1-3,6-7,11,18H,4-5,8-9H2
InChIKeyPKLULVNUSNNBHF-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.42
Rot. Bonds6

About N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine

N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 62449785) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID62449785
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC NameN-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESClc1cccc(OCc2occc2CNC2CC2)c1Cl
InChIInChI=1S/C15H15Cl2NO2/c16-12-2-1-3-13(15(12)17)20-9-14-10(6-7-19-14)8-18-11-4-5-11/h1-3,6-7,11,18H,4-5,8-9H2
InChIKeyPKLULVNUSNNBHF-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-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63491123
N-[[2-[(2-prop-2-enylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62523408
N-[[2-[(4-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62453268
N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444084
N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62452095
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 107661302
N-[[2-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 64602366
N-[[2-(butan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62454822
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62459727
N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine
CID 62451053
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-[[2-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62459443

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine (CID 62449785) is N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine is Clc1cccc(OCc2occc2CNC2CC2)c1Cl.
What is the InChIKey of N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is PKLULVNUSNNBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c16-12-2-1-3-13(15(12)17)20-9-14-10(6-7-19-14)8-18-11-4-5-11/h1-3,6-7,11,18H,4-5,8-9H2.
What are the key properties of N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[2-[(2,3-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-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62449785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).