N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine

C14H17Cl2N3 — CID 43498082

IUPACN-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncc[nH]1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-2-6-17-12(9-13-18-7-8-19-13)14-10(15)4-3-5-11(14)16/h3-5,7-8,12,17H,2,6,9H2,1H3,(H,18,19)
InChIKeyNVUZLYUOUCEYBL-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.00
Rot. Bonds6

About N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine

N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine (PubChem CID 43498082) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
PubChem CID43498082
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC NameN-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncc[nH]1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-2-6-17-12(9-13-18-7-8-19-13)14-10(15)4-3-5-11(14)16/h3-5,7-8,12,17H,2,6,9H2,1H3,(H,18,19)
InChIKeyNVUZLYUOUCEYBL-UHFFFAOYSA-N
XLogP4.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 43493442
N-[1-(3-chlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498055
N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498011
N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498005
N-[1-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 107950457
N-[1-(3-bromo-4-methylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 81471845
N-[1-(2,6-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 104996996
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 102882783
N-[1-(4-bromo-2-methylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43629894
N-[1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63528797
N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 81115344
N-[1-(2,5-dibromothiophen-3-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 114021154

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine (CID 43498082) is N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ncc[nH]1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is NVUZLYUOUCEYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-2-6-17-12(9-13-18-7-8-19-13)14-10(15)4-3-5-11(14)16/h3-5,7-8,12,17H,2,6,9H2,1H3,(H,18,19).
What are the key properties of N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43498082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).