(4-fluoro-3-methylphenyl)methanamine

C8H10FN — CID 2774599

IUPAC(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(CN)ccc1F
InChIInChI=1S/C8H10FN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5,10H2,1H3
InChIKeyPQXWYQZQCWWMDQ-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.59
Rot. Bonds1

About (4-fluoro-3-methylphenyl)methanamine

(4-fluoro-3-methylphenyl)methanamine (PubChem CID 2774599) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)methanamine
PubChem CID2774599
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(CN)ccc1F
InChIInChI=1S/C8H10FN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5,10H2,1H3
InChIKeyPQXWYQZQCWWMDQ-UHFFFAOYSA-N
XLogP1.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (4-fluoro-3-methylphenyl)methanamine (CID 2774599) is (4-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (4-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (4-fluoro-3-methylphenyl)methanamine is Cc1cc(CN)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)methanamine?
The InChIKey is PQXWYQZQCWWMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5,10H2,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)methanamine?
(4-fluoro-3-methylphenyl)methanamine has a molecular weight of 139.17 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 2774599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).