3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline

C11H12FN3 — CID 62762313

IUPAC3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline
SMILESCc1c(F)cccc1NCc1cnc[nH]1
InChIInChI=1S/C11H12FN3/c1-8-10(12)3-2-4-11(8)14-6-9-5-13-7-15-9/h2-5,7,14H,6H2,1H3,(H,13,15)
InChIKeyWVTPNMXKRRQVBE-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.47
Rot. Bonds3

About 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline

3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline (PubChem CID 62762313) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline.

Molecular Properties

Compound Name3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline
PubChem CID62762313
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline
SMILESCc1c(F)cccc1NCc1cnc[nH]1
InChIInChI=1S/C11H12FN3/c1-8-10(12)3-2-4-11(8)14-6-9-5-13-7-15-9/h2-5,7,14H,6H2,1H3,(H,13,15)
InChIKeyWVTPNMXKRRQVBE-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

N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline
CID 13178310
N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide
CID 55109216
N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 62762264
2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 13178302
2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762471
3-fluoro-2-methyl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117080
2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 59728068
N-(1H-imidazol-5-ylmethyl)-4-methylsulfanylaniline
CID 62763159
2-bromo-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 62761211
3-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 24945906
2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762095
N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66479341

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline?
The IUPAC name of 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline (CID 62762313) is 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline.
What is the SMILES notation for 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline?
The canonical SMILES for 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline is Cc1c(F)cccc1NCc1cnc[nH]1.
What is the InChIKey of 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline?
The InChIKey is WVTPNMXKRRQVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-8-10(12)3-2-4-11(8)14-6-9-5-13-7-15-9/h2-5,7,14H,6H2,1H3,(H,13,15).
What are the key properties of 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline?
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-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 3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline is sourced from PubChem (CID 62762313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).