[2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine

C11H14FN — CID 62704549

IUPAC[2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine
SMILESCc1cc(C2CC2CN)ccc1F
InChIInChI=1S/C11H14FN/c1-7-4-8(2-3-11(7)12)10-5-9(10)6-13/h2-4,9-10H,5-6,13H2,1H3
InChIKeyXDUONOGZHMPKJK-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.20
Rot. Bonds2

About [2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine

[2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine (PubChem CID 62704549) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is [2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine
PubChem CID62704549
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name[2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine
SMILESCc1cc(C2CC2CN)ccc1F
InChIInChI=1S/C11H14FN/c1-7-4-8(2-3-11(7)12)10-5-9(10)6-13/h2-4,9-10H,5-6,13H2,1H3
InChIKeyXDUONOGZHMPKJK-UHFFFAOYSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of [2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine (CID 62704549) is [2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine is Cc1cc(C2CC2CN)ccc1F.
What is the InChIKey of [2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine?
The InChIKey is XDUONOGZHMPKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-7-4-8(2-3-11(7)12)10-5-9(10)6-13/h2-4,9-10H,5-6,13H2,1H3.
What are the key properties of [2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine?
[2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine has a molecular weight of 179.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 62704549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).