1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine

C14H18FN3 — CID 114529940

IUPAC1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCc1ccc(C(N)CCc2nccn2C)cc1F
InChIInChI=1S/C14H18FN3/c1-10-3-4-11(9-12(10)15)13(16)5-6-14-17-7-8-18(14)2/h3-4,7-9,13H,5-6,16H2,1-2H3
InChIKeyRJOGQCVAZUBFIV-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.50
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine

1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 114529940) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID114529940
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCc1ccc(C(N)CCc2nccn2C)cc1F
InChIInChI=1S/C14H18FN3/c1-10-3-4-11(9-12(10)15)13(16)5-6-14-17-7-8-18(14)2/h3-4,7-9,13H,5-6,16H2,1-2H3
InChIKeyRJOGQCVAZUBFIV-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-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103216419
1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049790
3-(1-methylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 105049951
1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 106848552
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 107994332
1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580367
[1-(3-chloro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340350
(1S)-1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934213
1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 107520978
(1S)-1-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 171223924

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine (CID 114529940) is 1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine is Cc1ccc(C(N)CCc2nccn2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is RJOGQCVAZUBFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-10-3-4-11(9-12(10)15)13(16)5-6-14-17-7-8-18(14)2/h3-4,7-9,13H,5-6,16H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 114529940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).