2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine

C14H17ClFN3 — CID 82805348

IUPAC2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H17ClFN3/c1-2-7-19-8-6-18-14(19)12(17)9-10-4-3-5-11(15)13(10)16/h3-6,8,12H,2,7,9,17H2,1H3
InChIKeyYTWQRZJHUPNUGU-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.33
Rot. Bonds5

About 2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine (PubChem CID 82805348) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine
PubChem CID82805348
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H17ClFN3/c1-2-7-19-8-6-18-14(19)12(17)9-10-4-3-5-11(15)13(10)16/h3-6,8,12H,2,7,9,17H2,1H3
InChIKeyYTWQRZJHUPNUGU-UHFFFAOYSA-N
XLogP3.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105264382
2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 82806876
2-(3-chloro-2-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107977894
1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine
CID 63969593
2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 113453816
2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
CID 66052890
1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79761475
N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317545
2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 82806137
2-(3-chloro-2-fluorophenyl)-1-(4-propoxyphenyl)ethanamine
CID 82787670
2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
CID 66070569
N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 102856727

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine (CID 82805348) is 2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1C(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is YTWQRZJHUPNUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-2-7-19-8-6-18-14(19)12(17)9-10-4-3-5-11(15)13(10)16/h3-6,8,12H,2,7,9,17H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 281.76 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 82805348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).