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

C17H21Cl2NO — CID 115863050

IUPACN-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1Cl)c1cc(C)oc1C
InChIInChI=1S/C17H21Cl2NO/c1-4-7-20-17(15-8-11(2)21-12(15)3)10-13-9-14(18)5-6-16(13)19/h5-6,8-9,17,20H,4,7,10H2,1-3H3
InChIKeyKFUPEHVMFZNAQG-UHFFFAOYSA-N
MW326.27 g/mol
LogP5.49
Rot. Bonds6

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

N-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine (PubChem CID 115863050) has the molecular formula C17H21Cl2NO and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
PubChem CID115863050
Molecular FormulaC17H21Cl2NO
Molecular Weight326.27 g/mol
Exact Mass325.10
IUPAC NameN-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1Cl)c1cc(C)oc1C
InChIInChI=1S/C17H21Cl2NO/c1-4-7-20-17(15-8-11(2)21-12(15)3)10-13-9-14(18)5-6-16(13)19/h5-6,8-9,17,20H,4,7,10H2,1-3H3
InChIKeyKFUPEHVMFZNAQG-UHFFFAOYSA-N
XLogP5.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.27
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 63504146
N-[2-(2,6-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 115830226
N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 115839286
N-[1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105051030
2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine
CID 105055308
N-[(3-chloro-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 82875567
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 106692130
N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030186
N-[(2,3-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63502105
N-[1-(4,5-dibromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethyl]propan-1-amine
CID 115862935
1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863240
2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine (CID 115863050) is N-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(Cl)ccc1Cl)c1cc(C)oc1C.
What is the InChIKey of N-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine?
The InChIKey is KFUPEHVMFZNAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NO/c1-4-7-20-17(15-8-11(2)21-12(15)3)10-13-9-14(18)5-6-16(13)19/h5-6,8-9,17,20H,4,7,10H2,1-3H3.
What are the key properties of N-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine?
N-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine has a molecular weight of 326.27 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115863050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).