1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine

C14H17BrFN3 — CID 61317535

IUPAC1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)c1ccc(F)cc1Br
InChIInChI=1S/C14H17BrFN3/c1-3-7-19-8-6-18-14(19)13(17-2)11-5-4-10(16)9-12(11)15/h4-6,8-9,13,17H,3,7H2,1-2H3
InChIKeyVFFYPSOROKEYLD-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.50
Rot. Bonds5

About 1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine

1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (PubChem CID 61317535) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
PubChem CID61317535
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)c1ccc(F)cc1Br
InChIInChI=1S/C14H17BrFN3/c1-3-7-19-8-6-18-14(19)13(17-2)11-5-4-10(16)9-12(11)15/h4-6,8-9,13,17H,3,7H2,1-2H3
InChIKeyVFFYPSOROKEYLD-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317941
1-(2,4-dibromophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 107945885
[(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105219387
1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61318962
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 106791871
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 107945877
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
N-methyl-1-(4-methylsulfanylphenyl)-1-(1-propylimidazol-2-yl)methanamine
CID 79206742
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61319375
N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 107945887
(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
CID 63048979

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (CID 61317535) is 1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(NC)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The InChIKey is VFFYPSOROKEYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-3-7-19-8-6-18-14(19)13(17-2)11-5-4-10(16)9-12(11)15/h4-6,8-9,13,17H,3,7H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine has a molecular weight of 326.21 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 61317535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).