1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine

C12H15ClFN — CID 104987746

IUPAC1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFN/c1-3-4-8-11(15-2)12-9(13)6-5-7-10(12)14/h3,5-7,11,15H,1,4,8H2,2H3
InChIKeyIDKDWHBOAHHCBV-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.71
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine

1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine (PubChem CID 104987746) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine
PubChem CID104987746
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFN/c1-3-4-8-11(15-2)12-9(13)6-5-7-10(12)14/h3,5-7,11,15H,1,4,8H2,2H3
InChIKeyIDKDWHBOAHHCBV-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.71
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

(1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
CID 171200170
1-(2,6-dichlorophenyl)pent-4-enylhydrazine
CID 105311563
1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794403
1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine
CID 104987321
1-(2,6-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 79523146
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032302
1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861153
1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine
CID 103444341
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
1-(2,6-dichlorophenyl)-N-methyloctan-1-amine
CID 115832250
1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine
CID 107102445
1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025688

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine (CID 104987746) is 1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine is C=CCCC(NC)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine?
The InChIKey is IDKDWHBOAHHCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-3-4-8-11(15-2)12-9(13)6-5-7-10(12)14/h3,5-7,11,15H,1,4,8H2,2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine?
1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine has a molecular weight of 227.71 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine is sourced from PubChem (CID 104987746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).