N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine

C14H17ClFN3 — CID 43498011

IUPACN-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncc[nH]1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H17ClFN3/c1-2-5-17-13(9-14-18-6-7-19-14)11-4-3-10(15)8-12(11)16/h3-4,6-8,13,17H,2,5,9H2,1H3,(H,18,19)
InChIKeyANGGTMREPLJSFZ-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.49
Rot. Bonds6

About N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine

N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine (PubChem CID 43498011) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
PubChem CID43498011
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC NameN-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncc[nH]1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H17ClFN3/c1-2-5-17-13(9-14-18-6-7-19-14)11-4-3-10(15)8-12(11)16/h3-4,6-8,13,17H,2,5,9H2,1H3,(H,18,19)
InChIKeyANGGTMREPLJSFZ-UHFFFAOYSA-N
XLogP3.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 102882783
N-[1-(3-chlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498055
N-[1-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 107950457
N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498082
N-[1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825037
N-[1-(4-bromo-2-methylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43629894
N-[1-(2,5-dibromothiophen-3-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 114021154
N-[1-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63418437
N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498005
1-(4-chloro-2-fluorophenyl)-N-propylbut-3-en-1-amine
CID 63081783
2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole
CID 61098179
N-[1-(3-bromo-4-methylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 81471845

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine (CID 43498011) is N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ncc[nH]1)c1ccc(Cl)cc1F.
What is the InChIKey of N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is ANGGTMREPLJSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-2-5-17-13(9-14-18-6-7-19-14)11-4-3-10(15)8-12(11)16/h3-4,6-8,13,17H,2,5,9H2,1H3,(H,18,19).
What are the key properties of N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 281.76 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43498011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).