4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline

C11H12FN3 — CID 62809674

IUPAC4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline
SMILESCc1cc(NCc2ncc[nH]2)ccc1F
InChIInChI=1S/C11H12FN3/c1-8-6-9(2-3-10(8)12)15-7-11-13-4-5-14-11/h2-6,15H,7H2,1H3,(H,13,14)
InChIKeyVMADWICXBYMXSE-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.47
Rot. Bonds3

About 4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline

4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline (PubChem CID 62809674) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline
PubChem CID62809674
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline
SMILESCc1cc(NCc2ncc[nH]2)ccc1F
InChIInChI=1S/C11H12FN3/c1-8-6-9(2-3-10(8)12)15-7-11-13-4-5-14-11/h2-6,15H,7H2,1H3,(H,13,14)
InChIKeyVMADWICXBYMXSE-UHFFFAOYSA-N
XLogP2.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 84592277
4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62810194
N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 115744020
N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55118977
4-fluoro-3-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050571
3-bromo-N-(1H-imidazol-2-ylmethyl)-4-propan-2-yloxyaniline
CID 167902944
2-ethyl-N-(1H-imidazol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 54976526
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylpyridin-2-amine
CID 83335226
3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline
CID 54976663
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
N-(1H-imidazol-2-ylmethyl)-3-(trifluoromethoxy)aniline
CID 54976604

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline?
The IUPAC name of 4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline (CID 62809674) is 4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline.
What is the SMILES notation for 4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline?
The canonical SMILES for 4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline is Cc1cc(NCc2ncc[nH]2)ccc1F.
What is the InChIKey of 4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline?
The InChIKey is VMADWICXBYMXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-8-6-9(2-3-10(8)12)15-7-11-13-4-5-14-11/h2-6,15H,7H2,1H3,(H,13,14).
What are the key properties of 4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline?
4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline has a molecular weight of 205.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline is sourced from PubChem (CID 62809674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).