1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine

C15H20BrN3O — CID 105167671

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cc(OC)ccc1Br
InChIInChI=1S/C15H20BrN3O/c1-3-7-19-8-6-18-15(19)10-14(17)12-9-11(20-2)4-5-13(12)16/h4-6,8-9,14H,3,7,10,17H2,1-2H3
InChIKeyPIBNWKDYISZXEM-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.31
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine

1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 105167671) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID105167671
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cc(OC)ccc1Br
InChIInChI=1S/C15H20BrN3O/c1-3-7-19-8-6-18-15(19)10-14(17)12-9-11(20-2)4-5-13(12)16/h4-6,8-9,14H,3,7,10,17H2,1-2H3
InChIKeyPIBNWKDYISZXEM-UHFFFAOYSA-N
XLogP3.31
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105162566
1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012524
1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012477
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167670
1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012377
1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012264
(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171224414
1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 114330209
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012407
1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821013
1-(2-bromo-5-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098960

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine (CID 105167671) is 1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(N)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is PIBNWKDYISZXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-3-7-19-8-6-18-15(19)10-14(17)12-9-11(20-2)4-5-13(12)16/h4-6,8-9,14H,3,7,10,17H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine?
1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105167671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).