2-[(3-fluorophenyl)methyl]prop-2-en-1-amine

C10H12FN — CID 117266417

IUPAC2-[(3-fluorophenyl)methyl]prop-2-en-1-amine
SMILESC=C(CN)Cc1cccc(F)c1
InChIInChI=1S/C10H12FN/c1-8(7-12)5-9-3-2-4-10(11)6-9/h2-4,6H,1,5,7,12H2
InChIKeyFIPMRANJEGJMSH-UHFFFAOYSA-N
MW165.21 g/mol
LogP1.88
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]prop-2-en-1-amine

2-[(3-fluorophenyl)methyl]prop-2-en-1-amine (PubChem CID 117266417) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]prop-2-en-1-amine
PubChem CID117266417
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name2-[(3-fluorophenyl)methyl]prop-2-en-1-amine
SMILESC=C(CN)Cc1cccc(F)c1
InChIInChI=1S/C10H12FN/c1-8(7-12)5-9-3-2-4-10(11)6-9/h2-4,6H,1,5,7,12H2
InChIKeyFIPMRANJEGJMSH-UHFFFAOYSA-N
XLogP1.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.88
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

3-[(3-fluorophenyl)methyl]-N-methylbut-3-en-1-amine
CID 117268846
3-fluoro-2-[(3-fluorophenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66983127
1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one
CID 116595869
1-fluoro-3-(2-isocyanatoprop-2-enyl)benzene
CID 117267211
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
(E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine
CID 25013451
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine
CID 115694674
fluoro 2-(3-fluorophenyl)acetate
CID 144594413
1-[4-(2-aminoacetyl)-1,4-diazepan-1-yl]-2-(3-fluorophenyl)ethanone
CID 119306834
N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide
CID 61362476
magnesium;1-ethyl-3-fluorobenzene;bromide
CID 24722724

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]prop-2-en-1-amine (CID 117266417) is 2-[(3-fluorophenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]prop-2-en-1-amine is C=C(CN)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]prop-2-en-1-amine?
The InChIKey is FIPMRANJEGJMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-8(7-12)5-9-3-2-4-10(11)6-9/h2-4,6H,1,5,7,12H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]prop-2-en-1-amine?
2-[(3-fluorophenyl)methyl]prop-2-en-1-amine has a molecular weight of 165.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 117266417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).