1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine

C14H18FN3 — CID 105049790

IUPAC1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCc1cccc(C(N)CCc2nccn2C)c1F
InChIInChI=1S/C14H18FN3/c1-10-4-3-5-11(14(10)15)12(16)6-7-13-17-8-9-18(13)2/h3-5,8-9,12H,6-7,16H2,1-2H3
InChIKeyDOMRPOYHZBUELB-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.50
Rot. Bonds4

About 1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine

1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 105049790) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID105049790
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCc1cccc(C(N)CCc2nccn2C)c1F
InChIInChI=1S/C14H18FN3/c1-10-4-3-5-11(14(10)15)12(16)6-7-13-17-8-9-18(13)2/h3-5,8-9,12H,6-7,16H2,1-2H3
InChIKeyDOMRPOYHZBUELB-UHFFFAOYSA-N
XLogP2.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340417
3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine
CID 105187594
1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529940
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79761475
1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049774
1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030310
1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107953783
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)propane-1,3-diamine
CID 63025144
[1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340312
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
CID 103517203

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine (CID 105049790) is 1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine is Cc1cccc(C(N)CCc2nccn2C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is DOMRPOYHZBUELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-10-4-3-5-11(14(10)15)12(16)6-7-13-17-8-9-18(13)2/h3-5,8-9,12H,6-7,16H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 105049790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).