N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine

C16H19Cl2NO2 — CID 63491123

IUPACN-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccoc1COc1cccc(Cl)c1Cl
InChIInChI=1S/C16H19Cl2NO2/c1-11(2)8-19-9-12-6-7-20-15(12)10-21-14-5-3-4-13(17)16(14)18/h3-7,11,19H,8-10H2,1-2H3
InChIKeyJRDHOSPJMCAURN-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.91
Rot. Bonds7

About N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63491123) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID63491123
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC NameN-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccoc1COc1cccc(Cl)c1Cl
InChIInChI=1S/C16H19Cl2NO2/c1-11(2)8-19-9-12-6-7-20-15(12)10-21-14-5-3-4-13(17)16(14)18/h3-7,11,19H,8-10H2,1-2H3
InChIKeyJRDHOSPJMCAURN-UHFFFAOYSA-N
XLogP4.91
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62452669
N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62449785
N-[[2-[(2,4-dibromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 64712467
N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62460473
2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451256
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 66225246
2-methyl-N-[[2-[2-(2-methylpropoxy)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 106449856
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62445760
2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62445215
N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 76943491
N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62459920
N-[[2-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62458317

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine (CID 63491123) is N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccoc1COc1cccc(Cl)c1Cl.
What is the InChIKey of N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is JRDHOSPJMCAURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c1-11(2)8-19-9-12-6-7-20-15(12)10-21-14-5-3-4-13(17)16(14)18/h3-7,11,19H,8-10H2,1-2H3.
What are the key properties of N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 328.24 g/mol, XLogP of 4.91, 7 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]-2-methylpropan-1-amine is sourced from PubChem (CID 63491123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).