N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine

C14H18FN — CID 115755868

IUPACN-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine
SMILESC=CCC(NCC1CC1)c1ccccc1F
InChIInChI=1S/C14H18FN/c1-2-5-14(16-10-11-8-9-11)12-6-3-4-7-13(12)15/h2-4,6-7,11,14,16H,1,5,8-10H2
InChIKeyBEAHVXRJFQMCHU-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.44
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine

N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine (PubChem CID 115755868) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine
PubChem CID115755868
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC NameN-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine
SMILESC=CCC(NCC1CC1)c1ccccc1F
InChIInChI=1S/C14H18FN/c1-2-5-14(16-10-11-8-9-11)12-6-3-4-7-13(12)15/h2-4,6-7,11,14,16H,1,5,8-10H2
InChIKeyBEAHVXRJFQMCHU-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
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-[1-(2-fluorophenyl)but-3-enylamino]ethanol
CID 115755860
N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
N-(2-chloroprop-2-enyl)-1-(2-fluorophenyl)but-3-en-1-amine
CID 115891033
4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964080
N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine
CID 4711979
[2-cyclopropyl-1-(2-fluorophenyl)ethyl]hydrazine
CID 105216734
N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 104574961
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
1-(2-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411471
(1R)-1-(2-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81379999
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
2-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 105119761

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine (CID 115755868) is N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine is C=CCC(NCC1CC1)c1ccccc1F.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine?
The InChIKey is BEAHVXRJFQMCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-2-5-14(16-10-11-8-9-11)12-6-3-4-7-13(12)15/h2-4,6-7,11,14,16H,1,5,8-10H2.
What are the key properties of N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine?
N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine has a molecular weight of 219.30 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine is sourced from PubChem (CID 115755868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).