1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine

C15H19ClFN3 — CID 114530181

IUPAC1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCNC(CCc1nccn1C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H19ClFN3/c1-3-18-14(6-7-15-19-8-9-20(15)2)11-4-5-13(17)12(16)10-11/h4-5,8-10,14,18H,3,6-7H2,1-2H3
InChIKeyCNDKERMNRZQAGC-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.50
Rot. Bonds6

About 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine

1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 114530181) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID114530181
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCCNC(CCc1nccn1C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H19ClFN3/c1-3-18-14(6-7-15-19-8-9-20(15)2)11-4-5-13(17)12(16)10-11/h4-5,8-10,14,18H,3,6-7H2,1-2H3
InChIKeyCNDKERMNRZQAGC-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529913
1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530643
1-(3-chloro-2-pyridinyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103444443
[1-(3-chloro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340350
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011253
[1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340362
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530517
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 115567453
1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530197
1-(4-bromo-3-methylphenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049733
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011269

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine (CID 114530181) is 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine is CCNC(CCc1nccn1C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is CNDKERMNRZQAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-3-18-14(6-7-15-19-8-9-20(15)2)11-4-5-13(17)12(16)10-11/h4-5,8-10,14,18H,3,6-7H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 295.79 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 114530181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).