1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine

C15H17Cl2NO — CID 63398591

IUPAC1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C15H17Cl2NO/c1-3-13(18-4-2)15-8-7-14(19-15)11-9-10(16)5-6-12(11)17/h5-9,13,18H,3-4H2,1-2H3
InChIKeyOXVLJCDBKWDYMA-UHFFFAOYSA-N
MW298.21 g/mol
LogP5.31
Rot. Bonds5

About 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine

1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine (PubChem CID 63398591) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine
PubChem CID63398591
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C15H17Cl2NO/c1-3-13(18-4-2)15-8-7-14(19-15)11-9-10(16)5-6-12(11)17/h5-9,13,18H,3-4H2,1-2H3
InChIKeyOXVLJCDBKWDYMA-UHFFFAOYSA-N
XLogP5.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.21
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 107607500
1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62633115
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 62633461
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 106692130
1-(5-chlorofuran-2-yl)-N-ethylpropan-1-amine
CID 106691408
1-[5-(5-bromo-2-methylphenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398851
N-ethyl-1-[5-(2-propylphenyl)furan-2-yl]propan-1-amine
CID 63398978
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 107626833
1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine
CID 62498910
2-(2,5-dichlorophenyl)-5-methylfuran;ethane
CID 143821579
1-[5-(2-chlorophenyl)furan-2-yl]-N-ethylethanamine
CID 62499057
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084440

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine (CID 63398591) is 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine?
The InChIKey is OXVLJCDBKWDYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-3-13(18-4-2)15-8-7-14(19-15)11-9-10(16)5-6-12(11)17/h5-9,13,18H,3-4H2,1-2H3.
What are the key properties of 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine?
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine has a molecular weight of 298.21 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 63398591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).