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

C16H19Cl2NO2 — CID 62452933

IUPACN-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1coc(COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H19Cl2NO2/c1-16(2,3)19-8-11-6-13(20-9-11)10-21-15-7-12(17)4-5-14(15)18/h4-7,9,19H,8,10H2,1-3H3
InChIKeySYOSRWBGRBYYCA-UHFFFAOYSA-N
MW328.24 g/mol
LogP5.05
Rot. Bonds5

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

N-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62452933) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is N-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62452933
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC NameN-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1coc(COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H19Cl2NO2/c1-16(2,3)19-8-11-6-13(20-9-11)10-21-15-7-12(17)4-5-14(15)18/h4-7,9,19H,8,10H2,1-3H3
InChIKeySYOSRWBGRBYYCA-UHFFFAOYSA-N
XLogP5.05
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.24
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62460696
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62485139
N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 64601412
N-[[5-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63498761
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63497529
N-[[5-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62444439
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63498236
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55076989
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 66275969
1-[5-[(2,5-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55077884
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
1,4-dichloro-2-(2,2-dimethylpropoxy)benzene
CID 66988103

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (CID 62452933) is N-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1coc(COc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is SYOSRWBGRBYYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c1-16(2,3)19-8-11-6-13(20-9-11)10-21-15-7-12(17)4-5-14(15)18/h4-7,9,19H,8,10H2,1-3H3.
What are the key properties of N-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 328.24 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62452933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).