N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine

C14H15Cl2NO2 — CID 106889030

IUPACN-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(Cl)c(OC)cc2Cl)o1
InChIInChI=1S/C14H15Cl2NO2/c1-3-17-8-9-4-5-13(19-9)10-6-12(16)14(18-2)7-11(10)15/h4-7,17H,3,8H2,1-2H3
InChIKeyHGFRPHXMCXKMPE-UHFFFAOYSA-N
MW300.19 g/mol
LogP4.37
Rot. Bonds5

About N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine

N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 106889030) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
PubChem CID106889030
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC NameN-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(Cl)c(OC)cc2Cl)o1
InChIInChI=1S/C14H15Cl2NO2/c1-3-17-8-9-4-5-13(19-9)10-6-12(16)14(18-2)7-11(10)15/h4-7,17H,3,8H2,1-2H3
InChIKeyHGFRPHXMCXKMPE-UHFFFAOYSA-N
XLogP4.37
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-methoxy-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106887131
N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 43624793
N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine
CID 104724948
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106889016
N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106887121
N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine
CID 43624933
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208246
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
N-[[5-(2,3,4,6-tetrachlorophenyl)furan-2-yl]methyl]ethanamine
CID 106889099
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208292
N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208318
N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106886886

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine (CID 106889030) is N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(-c2cc(Cl)c(OC)cc2Cl)o1.
What is the InChIKey of N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is HGFRPHXMCXKMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-3-17-8-9-4-5-13(19-9)10-6-12(16)14(18-2)7-11(10)15/h4-7,17H,3,8H2,1-2H3.
What are the key properties of N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine?
N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 300.19 g/mol, XLogP of 4.37, 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-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106889030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).