N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine

C16H21Cl2N3 — CID 63968753

IUPACN-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1Cl)c1nccn1CC
InChIInChI=1S/C16H21Cl2N3/c1-3-7-19-15(16-20-8-9-21(16)4-2)10-12-5-6-13(17)11-14(12)18/h5-6,8-9,11,15,19H,3-4,7,10H2,1-2H3
InChIKeyHYKBIENTCFFMKQ-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.49
Rot. Bonds7

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

N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 63968753) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID63968753
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC NameN-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1Cl)c1nccn1CC
InChIInChI=1S/C16H21Cl2N3/c1-3-7-19-15(16-20-8-9-21(16)4-2)10-12-5-6-13(17)11-14(12)18/h5-6,8-9,11,15,19H,3-4,7,10H2,1-2H3
InChIKeyHYKBIENTCFFMKQ-UHFFFAOYSA-N
XLogP4.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63977323
N-[2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 65360582
1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine
CID 79751664
N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63970008
N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61319386
N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 115840283
2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 63968122
N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 54980096
N-[1-(1-ethylimidazol-2-yl)-2-methoxyethyl]propan-1-amine
CID 63967707
N-[2-(2,4-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105132701
N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 63968561
N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 65131968

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine (CID 63968753) is N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1Cl)c1nccn1CC.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is HYKBIENTCFFMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c1-3-7-19-15(16-20-8-9-21(16)4-2)10-12-5-6-13(17)11-14(12)18/h5-6,8-9,11,15,19H,3-4,7,10H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 326.27 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63968753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).