4-(2-fluoro-3-methylphenyl)but-3-en-1-amine

C11H14FN — CID 170486516

IUPAC4-(2-fluoro-3-methylphenyl)but-3-en-1-amine
SMILESCc1cccc(C=CCCN)c1F
InChIInChI=1S/C11H14FN/c1-9-5-4-7-10(11(9)12)6-2-3-8-13/h2,4-7H,3,8,13H2,1H3
InChIKeyWVPNQAYBQGMGOJ-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.50
Rot. Bonds3

About 4-(2-fluoro-3-methylphenyl)but-3-en-1-amine

4-(2-fluoro-3-methylphenyl)but-3-en-1-amine (PubChem CID 170486516) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenyl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenyl)but-3-en-1-amine
PubChem CID170486516
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name4-(2-fluoro-3-methylphenyl)but-3-en-1-amine
SMILESCc1cccc(C=CCCN)c1F
InChIInChI=1S/C11H14FN/c1-9-5-4-7-10(11(9)12)6-2-3-8-13/h2,4-7H,3,8,13H2,1H3
InChIKeyWVPNQAYBQGMGOJ-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylphenyl)but-3-en-1-amine?
The IUPAC name of 4-(2-fluoro-3-methylphenyl)but-3-en-1-amine (CID 170486516) is 4-(2-fluoro-3-methylphenyl)but-3-en-1-amine.
What is the SMILES notation for 4-(2-fluoro-3-methylphenyl)but-3-en-1-amine?
The canonical SMILES for 4-(2-fluoro-3-methylphenyl)but-3-en-1-amine is Cc1cccc(C=CCCN)c1F.
What is the InChIKey of 4-(2-fluoro-3-methylphenyl)but-3-en-1-amine?
The InChIKey is WVPNQAYBQGMGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-9-5-4-7-10(11(9)12)6-2-3-8-13/h2,4-7H,3,8,13H2,1H3.
What are the key properties of 4-(2-fluoro-3-methylphenyl)but-3-en-1-amine?
4-(2-fluoro-3-methylphenyl)but-3-en-1-amine has a molecular weight of 179.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylphenyl)but-3-en-1-amine is sourced from PubChem (CID 170486516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).