N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline

C11H14FN3 — CID 14878255

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline
SMILESCc1c(F)cccc1NCC1=NCCN1
InChIInChI=1S/C11H14FN3/c1-8-9(12)3-2-4-10(8)15-7-11-13-5-6-14-11/h2-4,15H,5-7H2,1H3,(H,13,14)
InChIKeyKNISGYATNJJJLL-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.55
Rot. Bonds3

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline (PubChem CID 14878255) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline
PubChem CID14878255
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline
SMILESCc1c(F)cccc1NCC1=NCCN1
InChIInChI=1S/C11H14FN3/c1-8-9(12)3-2-4-10(8)15-7-11-13-5-6-14-11/h2-4,15H,5-7H2,1H3,(H,13,14)
InChIKeyKNISGYATNJJJLL-UHFFFAOYSA-N
XLogP1.55
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline (CID 14878255) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline is Cc1c(F)cccc1NCC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline?
The InChIKey is KNISGYATNJJJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-8-9(12)3-2-4-10(8)15-7-11-13-5-6-14-11/h2-4,15H,5-7H2,1H3,(H,13,14).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline has a molecular weight of 207.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylaniline is sourced from PubChem (CID 14878255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).