4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine

C11H14FN3 — CID 19889753

IUPAC4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine
SMILESCc1c(F)cccc1C(N)C1=NCCN1
InChIInChI=1S/C11H14FN3/c1-7-8(3-2-4-9(7)12)10(13)11-14-5-6-15-11/h2-4,10H,5-6,13H2,1H3,(H,14,15)
InChIKeyYUQKBXBFDHGQSS-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.14
Rot. Bonds2

About 4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine

4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine (PubChem CID 19889753) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine
PubChem CID19889753
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine
SMILESCc1c(F)cccc1C(N)C1=NCCN1
InChIInChI=1S/C11H14FN3/c1-7-8(3-2-4-9(7)12)10(13)11-14-5-6-15-11/h2-4,10H,5-6,13H2,1H3,(H,14,15)
InChIKeyYUQKBXBFDHGQSS-UHFFFAOYSA-N
XLogP1.14
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine?
The IUPAC name of 4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine (CID 19889753) is 4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for 4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine is Cc1c(F)cccc1C(N)C1=NCCN1.
What is the InChIKey of 4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine?
The InChIKey is YUQKBXBFDHGQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-7-8(3-2-4-9(7)12)10(13)11-14-5-6-15-11/h2-4,10H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine?
4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine has a molecular weight of 207.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-2-yl-(3-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 19889753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).