N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine

C15H18ClNO3 — CID 43492710

IUPACN-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C15H18ClNO3/c1-4-17-15(12-6-5-7-20-12)10-8-13(18-2)14(19-3)9-11(10)16/h5-9,15,17H,4H2,1-3H3
InChIKeyRIXROPZOCAUSTG-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.65
Rot. Bonds6

About N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine

N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine (PubChem CID 43492710) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine
PubChem CID43492710
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC NameN-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C15H18ClNO3/c1-4-17-15(12-6-5-7-20-12)10-8-13(18-2)14(19-3)9-11(10)16/h5-9,15,17H,4H2,1-3H3
InChIKeyRIXROPZOCAUSTG-UHFFFAOYSA-N
XLogP3.65
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43562069
N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 82808349
N-[(5-chloro-2-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 82883059
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43492723
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43492728
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388
N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489925
N-[(3-chloro-4-iodophenyl)-(furan-2-yl)methyl]ethanamine
CID 103215267
N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 55135149
N-[(5-bromo-2-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43493888
N-[(3,6-dimethylpyridazin-4-yl)-(furan-2-yl)methyl]ethanamine
CID 105146876
N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951879

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine (CID 43492710) is N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine is CCNC(c1ccco1)c1cc(OC)c(OC)cc1Cl.
What is the InChIKey of N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine?
The InChIKey is RIXROPZOCAUSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-4-17-15(12-6-5-7-20-12)10-8-13(18-2)14(19-3)9-11(10)16/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine?
N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine has a molecular weight of 295.77 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine is sourced from PubChem (CID 43492710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).