1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine

C14H18FN3 — CID 77080785

IUPAC1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
SMILESCc1cnc(CN(C)Cc2cccc(F)c2C)[nH]1
InChIInChI=1S/C14H18FN3/c1-10-7-16-14(17-10)9-18(3)8-12-5-4-6-13(15)11(12)2/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyADWDRWIHJFBDTR-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.80
Rot. Bonds4

About 1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine

1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine (PubChem CID 77080785) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
PubChem CID77080785
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
SMILESCc1cnc(CN(C)Cc2cccc(F)c2C)[nH]1
InChIInChI=1S/C14H18FN3/c1-10-7-16-14(17-10)9-18(3)8-12-5-4-6-13(15)11(12)2/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyADWDRWIHJFBDTR-UHFFFAOYSA-N
XLogP2.80
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine (CID 77080785) is 1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine is Cc1cnc(CN(C)Cc2cccc(F)c2C)[nH]1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?
The InChIKey is ADWDRWIHJFBDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-10-7-16-14(17-10)9-18(3)8-12-5-4-6-13(15)11(12)2/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?
1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine has a molecular weight of 247.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 77080785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).