2-(3-fluorophenyl)pent-4-en-2-amine

C11H14FN — CID 130059150

IUPAC2-(3-fluorophenyl)pent-4-en-2-amine
SMILESC=CCC(C)(N)c1cccc(F)c1
InChIInChI=1S/C11H14FN/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h3-6,8H,1,7,13H2,2H3
InChIKeyMZUWMUPADKJXRU-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.58
Rot. Bonds3

About 2-(3-fluorophenyl)pent-4-en-2-amine

2-(3-fluorophenyl)pent-4-en-2-amine (PubChem CID 130059150) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-(3-fluorophenyl)pent-4-en-2-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)pent-4-en-2-amine
PubChem CID130059150
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name2-(3-fluorophenyl)pent-4-en-2-amine
SMILESC=CCC(C)(N)c1cccc(F)c1
InChIInChI=1S/C11H14FN/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h3-6,8H,1,7,13H2,2H3
InChIKeyMZUWMUPADKJXRU-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenyl)pent-4-en-2-ol
CID 22086786
2-(4-fluorophenyl)pent-4-en-2-amine
CID 130060488
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
2-(3-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 60798625
1-(3,4-difluorophenyl)-2-(3-fluorophenyl)propan-2-amine
CID 82920377
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62621068
2-(3-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508
methyl (2R)-2-(3-fluorophenyl)-2-hydroxypent-4-enoate
CID 23656504
1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine
CID 55096491
3-(3-fluorophenyl)pent-1-en-3-ol
CID 114872435
1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487752
1-(3-fluorophenyl)-1-(2-methylphenyl)propan-1-amine
CID 114872777

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)pent-4-en-2-amine?
The IUPAC name of 2-(3-fluorophenyl)pent-4-en-2-amine (CID 130059150) is 2-(3-fluorophenyl)pent-4-en-2-amine.
What is the SMILES notation for 2-(3-fluorophenyl)pent-4-en-2-amine?
The canonical SMILES for 2-(3-fluorophenyl)pent-4-en-2-amine is C=CCC(C)(N)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)pent-4-en-2-amine?
The InChIKey is MZUWMUPADKJXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h3-6,8H,1,7,13H2,2H3.
What are the key properties of 2-(3-fluorophenyl)pent-4-en-2-amine?
2-(3-fluorophenyl)pent-4-en-2-amine has a molecular weight of 179.24 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)pent-4-en-2-amine is sourced from PubChem (CID 130059150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).