2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine

C15H19BrClN3 — CID 82779747

IUPAC2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(C)(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H19BrClN3/c1-3-7-20-8-6-19-14(20)10-15(2,18)12-5-4-11(16)9-13(12)17/h4-6,8-9H,3,7,10,18H2,1-2H3
InChIKeyQAWYTXBRKDRFRQ-UHFFFAOYSA-N
MW356.70 g/mol
LogP4.13
Rot. Bonds5

About 2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine

2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine (PubChem CID 82779747) has the molecular formula C15H19BrClN3 and a molecular weight of 356.70 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
PubChem CID82779747
Molecular FormulaC15H19BrClN3
Molecular Weight356.70 g/mol
Exact Mass355.05
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(C)(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H19BrClN3/c1-3-7-20-8-6-19-14(20)10-15(2,18)12-5-4-11(16)9-13(12)17/h4-6,8-9H,3,7,10,18H2,1-2H3
InChIKeyQAWYTXBRKDRFRQ-UHFFFAOYSA-N
XLogP4.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.70
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
CID 79734748
2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
CID 82779028
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784716
2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 79744166
2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine
CID 82780088
2-(4-bromo-2-chlorophenyl)nonan-2-amine
CID 82779733
2-(4-bromo-2-chlorophenyl)-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 82779632
1-(2-amino-5-bromophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 82703490
[1-(4-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323298
1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole
CID 115769752
2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 82780180

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine (CID 82779747) is 2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine is CCCn1ccnc1CC(C)(N)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine?
The InChIKey is QAWYTXBRKDRFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3/c1-3-7-20-8-6-19-14(20)10-15(2,18)12-5-4-11(16)9-13(12)17/h4-6,8-9H,3,7,10,18H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine?
2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine has a molecular weight of 356.70 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 82779747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).