3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine

C16H20ClNO2 — CID 170867232

IUPAC3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C16H20ClNO2/c1-18(2)10-4-7-14-8-9-16(20-14)12-19-15-6-3-5-13(17)11-15/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3
InChIKeyZOGOQAHYHRKSOB-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.01
Rot. Bonds7

About 3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine

3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine (PubChem CID 170867232) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine
PubChem CID170867232
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C16H20ClNO2/c1-18(2)10-4-7-14-8-9-16(20-14)12-19-15-6-3-5-13(17)11-15/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3
InChIKeyZOGOQAHYHRKSOB-UHFFFAOYSA-N
XLogP4.01
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
N,N-dimethyl-3-(5-propylfuran-2-yl)propan-1-amine
CID 170867226
5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19446192
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
(E)-3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-1-(3-pyrrol-1-ylphenyl)prop-2-en-1-one
CID 19559298
6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran
CID 117179353
N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19446073
5-[(3-chlorophenoxy)methyl]-N-(2-chlorophenyl)furan-2-carboxamide
CID 35526540
(E)-3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 19569176
5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19446098
(E)-3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-1-(2-methylpyrazol-3-yl)prop-2-en-1-one
CID 6311245
3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866352

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine (CID 170867232) is 3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(COc2cccc(Cl)c2)o1.
What is the InChIKey of 3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is ZOGOQAHYHRKSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-18(2)10-4-7-14-8-9-16(20-14)12-19-15-6-3-5-13(17)11-15/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3.
What are the key properties of 3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine?
3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 293.79 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170867232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).