1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine

C16H19Cl2NO — CID 63398553

IUPAC1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C16H19Cl2NO/c1-3-8-19-11(2)9-13-5-7-16(20-13)14-6-4-12(17)10-15(14)18/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyNQTBLSVIBLZNSA-UHFFFAOYSA-N
MW312.24 g/mol
LogP5.18
Rot. Bonds6

About 1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine

1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine (PubChem CID 63398553) has the molecular formula C16H19Cl2NO and a molecular weight of 312.24 g/mol. Its IUPAC name is 1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
PubChem CID63398553
Molecular FormulaC16H19Cl2NO
Molecular Weight312.24 g/mol
Exact Mass311.08
IUPAC Name1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C16H19Cl2NO/c1-3-8-19-11(2)9-13-5-7-16(20-13)14-6-4-12(17)10-15(14)18/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyNQTBLSVIBLZNSA-UHFFFAOYSA-N
XLogP5.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.24
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 81274606
1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398595
1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63084110
1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 107615184
N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine
CID 63085650
N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine
CID 63398766
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084440
1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085274
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 55188418
N-propyl-1-[5-(4-propylphenyl)furan-2-yl]propan-2-amine
CID 63398712
N-[1-[5-(2-chloro-4-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398504

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The IUPAC name of 1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine (CID 63398553) is 1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The canonical SMILES for 1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine is CCCNC(C)Cc1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The InChIKey is NQTBLSVIBLZNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO/c1-3-8-19-11(2)9-13-5-7-16(20-13)14-6-4-12(17)10-15(14)18/h4-7,10-11,19H,3,8-9H2,1-2H3.
What are the key properties of 1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine?
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine has a molecular weight of 312.24 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine is sourced from PubChem (CID 63398553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).