1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

C14H17BrFN3 — CID 107953783

IUPAC1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCNC(CCc1nccn1C)c1cccc(Br)c1F
InChIInChI=1S/C14H17BrFN3/c1-17-12(6-7-13-18-8-9-19(13)2)10-4-3-5-11(15)14(10)16/h3-5,8-9,12,17H,6-7H2,1-2H3
InChIKeyRCOMULHHHBSAQI-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.21
Rot. Bonds5

About 1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 107953783) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID107953783
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCNC(CCc1nccn1C)c1cccc(Br)c1F
InChIInChI=1S/C14H17BrFN3/c1-17-12(6-7-13-18-8-9-19(13)2)10-4-3-5-11(15)14(10)16/h3-5,8-9,12,17H,6-7H2,1-2H3
InChIKeyRCOMULHHHBSAQI-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049763
[1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 107954276
[1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340417
1-(3-bromo-2-fluorophenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106647594
[1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340312
1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine
CID 114530008
1-(2-bromo-3-methylphenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107985466
1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049845
1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049790
1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 107952963
N-methyl-3-(1-methylimidazol-2-yl)-1-pyridazin-4-ylpropan-1-amine
CID 105187782

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (CID 107953783) is 1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is CNC(CCc1nccn1C)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is RCOMULHHHBSAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-17-12(6-7-13-18-8-9-19(13)2)10-4-3-5-11(15)14(10)16/h3-5,8-9,12,17H,6-7H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 326.21 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 107953783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).