N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine

C16H19Cl2NO2 — CID 63496490

IUPACN-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(COc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C16H19Cl2NO2/c1-11(2)8-19-9-13-3-4-14(21-13)10-20-12-5-6-15(17)16(18)7-12/h3-7,11,19H,8-10H2,1-2H3
InChIKeyZRMZDYMMHCYXQS-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.91
Rot. Bonds7

About N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63496490) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID63496490
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC NameN-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(COc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C16H19Cl2NO2/c1-11(2)8-19-9-13-3-4-14(21-13)10-20-12-5-6-15(17)16(18)7-12/h3-7,11,19H,8-10H2,1-2H3
InChIKeyZRMZDYMMHCYXQS-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-[[5-[(4-bromo-3-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 65200963
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496647
[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62485761
N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
CID 62484692
N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
CID 62484864
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453755
N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62460276
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453744
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322080
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62453746
1-(4-chloro-3-methylphenoxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 62523170
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine (CID 63496490) is N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(COc2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZRMZDYMMHCYXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c1-11(2)8-19-9-13-3-4-14(21-13)10-20-12-5-6-15(17)16(18)7-12/h3-7,11,19H,8-10H2,1-2H3.
What are the key properties of N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-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-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63496490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).