N-[(3-fluorophenyl)methyl]pent-4-en-2-amine

C12H16FN — CID 115633143

IUPACN-[(3-fluorophenyl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1cccc(F)c1
InChIInChI=1S/C12H16FN/c1-3-5-10(2)14-9-11-6-4-7-12(13)8-11/h3-4,6-8,10,14H,1,5,9H2,2H3
InChIKeyUMHGJAPNEMZEFV-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.88
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]pent-4-en-2-amine

N-[(3-fluorophenyl)methyl]pent-4-en-2-amine (PubChem CID 115633143) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]pent-4-en-2-amine
PubChem CID115633143
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC NameN-[(3-fluorophenyl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1cccc(F)c1
InChIInChI=1S/C12H16FN/c1-3-5-10(2)14-9-11-6-4-7-12(13)8-11/h3-4,6-8,10,14H,1,5,9H2,2H3
InChIKeyUMHGJAPNEMZEFV-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.88
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

N-[(3-fluorophenyl)methyl]hex-5-en-2-amine
CID 75525500
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115592338
N-[(4-chloro-3-fluorophenyl)methyl]pent-4-en-2-amine
CID 115633062
1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115626138
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
N-[(4-phenylphenyl)methyl]pent-4-en-2-amine
CID 115633215
N-[(4-bromo-3-methylphenyl)methyl]pent-4-en-2-amine
CID 115668235
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine
CID 115708475

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]pent-4-en-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]pent-4-en-2-amine (CID 115633143) is N-[(3-fluorophenyl)methyl]pent-4-en-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]pent-4-en-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]pent-4-en-2-amine is C=CCC(C)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]pent-4-en-2-amine?
The InChIKey is UMHGJAPNEMZEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-3-5-10(2)14-9-11-6-4-7-12(13)8-11/h3-4,6-8,10,14H,1,5,9H2,2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]pent-4-en-2-amine?
N-[(3-fluorophenyl)methyl]pent-4-en-2-amine has a molecular weight of 193.26 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]pent-4-en-2-amine is sourced from PubChem (CID 115633143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).