1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine

C16H23ClFN — CID 114474615

IUPAC1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
SMILESC=C(C)CCC(Cc1ccc(F)cc1Cl)NCCC
InChIInChI=1S/C16H23ClFN/c1-4-9-19-15(8-5-12(2)3)10-13-6-7-14(18)11-16(13)17/h6-7,11,15,19H,2,4-5,8-10H2,1,3H3
InChIKeyTYVOTGFGKPIRIC-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.75
Rot. Bonds8

About 1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine

1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine (PubChem CID 114474615) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
PubChem CID114474615
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
SMILESC=C(C)CCC(Cc1ccc(F)cc1Cl)NCCC
InChIInChI=1S/C16H23ClFN/c1-4-9-19-15(8-5-12(2)3)10-13-6-7-14(18)11-16(13)17/h6-7,11,15,19H,2,4-5,8-10H2,1,3H3
InChIKeyTYVOTGFGKPIRIC-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.75
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 1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine (CID 114474615) is 1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine is C=C(C)CCC(Cc1ccc(F)cc1Cl)NCCC.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine?
The InChIKey is TYVOTGFGKPIRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-4-9-19-15(8-5-12(2)3)10-13-6-7-14(18)11-16(13)17/h6-7,11,15,19H,2,4-5,8-10H2,1,3H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine?
1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine has a molecular weight of 283.82 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine is sourced from PubChem (CID 114474615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).