N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine

C16H19Cl2NO — CID 114821315

IUPACN-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)c1coc(C)c1
InChIInChI=1S/C16H19Cl2NO/c1-3-6-19-16(13-7-11(2)20-10-13)9-12-4-5-14(17)15(18)8-12/h4-5,7-8,10,16,19H,3,6,9H2,1-2H3
InChIKeyMSLRLGDGBHTYNG-UHFFFAOYSA-N
MW312.24 g/mol
LogP5.18
Rot. Bonds6

About N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine

N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine (PubChem CID 114821315) has the molecular formula C16H19Cl2NO and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
PubChem CID114821315
Molecular FormulaC16H19Cl2NO
Molecular Weight312.24 g/mol
Exact Mass311.08
IUPAC NameN-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)c1coc(C)c1
InChIInChI=1S/C16H19Cl2NO/c1-3-6-19-16(13-7-11(2)20-10-13)9-12-4-5-14(17)15(18)8-12/h4-5,7-8,10,16,19H,3,6,9H2,1-2H3
InChIKeyMSLRLGDGBHTYNG-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

Analyze N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 107891629
N-[2-(3,4-difluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821327
N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821262
N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
CID 63413061
N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105136520
N-[2-(3,4-dichlorophenyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 63528164
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63414967
N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine
CID 79808186
N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105136518
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 63506622
2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842885

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine (CID 114821315) is N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)c(Cl)c1)c1coc(C)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
The InChIKey is MSLRLGDGBHTYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO/c1-3-6-19-16(13-7-11(2)20-10-13)9-12-4-5-14(17)15(18)8-12/h4-5,7-8,10,16,19H,3,6,9H2,1-2H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-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 N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114821315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).