2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine

C15H18Cl2FN3 — CID 79734748

IUPAC2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(C)(N)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2FN3/c1-3-5-21-6-4-20-14(21)9-15(2,19)10-7-13(18)12(17)8-11(10)16/h4,6-8H,3,5,9,19H2,1-2H3
InChIKeyLQMWWHKAQGARJO-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.16
Rot. Bonds5

About 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine

2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine (PubChem CID 79734748) has the molecular formula C15H18Cl2FN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
PubChem CID79734748
Molecular FormulaC15H18Cl2FN3
Molecular Weight330.23 g/mol
Exact Mass329.09
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(C)(N)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2FN3/c1-3-5-21-6-4-20-14(21)9-15(2,19)10-7-13(18)12(17)8-11(10)16/h4,6-8H,3,5,9,19H2,1-2H3
InChIKeyLQMWWHKAQGARJO-UHFFFAOYSA-N
XLogP4.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
CID 82779747
[1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323392
3-fluoro-4-[(1-propylimidazol-2-yl)methyl]aniline
CID 79737831
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine
CID 63408416
6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol
CID 116535799
2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine
CID 62622766
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine
CID 112566789
4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 62955979
1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79744860
2-(2,5-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744677
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine (CID 79734748) is 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine is CCCn1ccnc1CC(C)(N)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine?
The InChIKey is LQMWWHKAQGARJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2FN3/c1-3-5-21-6-4-20-14(21)9-15(2,19)10-7-13(18)12(17)8-11(10)16/h4,6-8H,3,5,9,19H2,1-2H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine?
2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine has a molecular weight of 330.23 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79734748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).