1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine

C12H15ClFN — CID 82805465

IUPAC1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine
SMILESC=CCC(Cc1cccc(Cl)c1F)NC
InChIInChI=1S/C12H15ClFN/c1-3-5-10(15-2)8-9-6-4-7-11(13)12(9)14/h3-4,6-7,10,15H,1,5,8H2,2H3
InChIKeyYCCNHDAGMMIPPM-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.19
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine

1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine (PubChem CID 82805465) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine
PubChem CID82805465
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine
SMILESC=CCC(Cc1cccc(Cl)c1F)NC
InChIInChI=1S/C12H15ClFN/c1-3-5-10(15-2)8-9-6-4-7-11(13)12(9)14/h3-4,6-7,10,15H,1,5,8H2,2H3
InChIKeyYCCNHDAGMMIPPM-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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

1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine
CID 116660523
1-(3-chloro-2-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 102857611
1-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 82805467
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 82806392
1-(3-chloro-2-fluorophenyl)-N-methylundecan-2-amine
CID 82789169
1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 102857633
1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine
CID 116660621
1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 102857527
1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 82806063

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine (CID 82805465) is 1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine is C=CCC(Cc1cccc(Cl)c1F)NC.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine?
The InChIKey is YCCNHDAGMMIPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-3-5-10(15-2)8-9-6-4-7-11(13)12(9)14/h3-4,6-7,10,15H,1,5,8H2,2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine?
1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine has a molecular weight of 227.71 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine is sourced from PubChem (CID 82805465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).