2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine

C14H18BrN3 — CID 114529358

IUPAC2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
SMILESCn1ccnc1CCC(C)(N)c1ccccc1Br
InChIInChI=1S/C14H18BrN3/c1-14(16,11-5-3-4-6-12(11)15)8-7-13-17-9-10-18(13)2/h3-6,9-10H,7-8,16H2,1-2H3
InChIKeyFIIVAZPVBUUIRV-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.99
Rot. Bonds4

About 2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine

2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine (PubChem CID 114529358) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
PubChem CID114529358
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
SMILESCn1ccnc1CCC(C)(N)c1ccccc1Br
InChIInChI=1S/C14H18BrN3/c1-14(16,11-5-3-4-6-12(11)15)8-7-13-17-9-10-18(13)2/h3-6,9-10H,7-8,16H2,1-2H3
InChIKeyFIIVAZPVBUUIRV-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
CID 114529364
1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529457
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine
CID 79738719
2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
CID 79744762
methanamine;1-methyl-2-propylimidazole
CID 164902083
1,2-bis(2-bromophenyl)propan-2-amine
CID 54919156
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
2-(3-bromo-3-phenylpropyl)-1-methylimidazole
CID 64509692
2-[3-(chloromethyl)-3-methylhexyl]-1-methylimidazole
CID 114532702
2-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114528995

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The IUPAC name of 2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine (CID 114529358) is 2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine is Cn1ccnc1CCC(C)(N)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The InChIKey is FIIVAZPVBUUIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-14(16,11-5-3-4-6-12(11)15)8-7-13-17-9-10-18(13)2/h3-6,9-10H,7-8,16H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine has a molecular weight of 308.22 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 114529358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).