N-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine

C14H18FN — CID 118307040

IUPACN-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine
SMILESC=CCCc1cc(F)ccc1CNC1CC1
InChIInChI=1S/C14H18FN/c1-2-3-4-11-9-13(15)6-5-12(11)10-16-14-7-8-14/h2,5-6,9,14,16H,1,3-4,7-8,10H2
InChIKeyFVCOYCILNDHDRW-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.20
Rot. Bonds6

About N-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine

N-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine (PubChem CID 118307040) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is N-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine
PubChem CID118307040
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC NameN-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine
SMILESC=CCCc1cc(F)ccc1CNC1CC1
InChIInChI=1S/C14H18FN/c1-2-3-4-11-9-13(15)6-5-12(11)10-16-14-7-8-14/h2,5-6,9,14,16H,1,3-4,7-8,10H2
InChIKeyFVCOYCILNDHDRW-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine (CID 118307040) is N-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine is C=CCCc1cc(F)ccc1CNC1CC1.
What is the InChIKey of N-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine?
The InChIKey is FVCOYCILNDHDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-2-3-4-11-9-13(15)6-5-12(11)10-16-14-7-8-14/h2,5-6,9,14,16H,1,3-4,7-8,10H2.
What are the key properties of N-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine?
N-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine has a molecular weight of 219.30 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-but-3-enyl-4-fluorophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 118307040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).