(4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine

C12H14FN3 — CID 81278716

IUPAC(4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
SMILESCc1cc(F)ccc1C(N)c1nccn1C
InChIInChI=1S/C12H14FN3/c1-8-7-9(13)3-4-10(8)11(14)12-15-5-6-16(12)2/h3-7,11H,14H2,1-2H3
InChIKeyYGWNCYHYQFIPAH-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.92
Rot. Bonds2

About (4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine

(4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine (PubChem CID 81278716) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
PubChem CID81278716
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name(4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
SMILESCc1cc(F)ccc1C(N)c1nccn1C
InChIInChI=1S/C12H14FN3/c1-8-7-9(13)3-4-10(8)11(14)12-15-5-6-16(12)2/h3-7,11H,14H2,1-2H3
InChIKeyYGWNCYHYQFIPAH-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine
CID 63974752
(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 65312123
(2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 106791541
(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
CID 63048979
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 63195529
1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 114029545
(4-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105142831
(3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine
CID 113398464
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
1-(4-fluoro-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
CID 109411249
(R)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine
CID 131473320

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of (4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine (CID 81278716) is (4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine is Cc1cc(F)ccc1C(N)c1nccn1C.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
The InChIKey is YGWNCYHYQFIPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-7-9(13)3-4-10(8)11(14)12-15-5-6-16(12)2/h3-7,11H,14H2,1-2H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
(4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine has a molecular weight of 219.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 81278716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).