1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine

C12H15Cl2N — CID 105001020

IUPAC1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2N/c1-3-5-15-12(4-2)9-6-10(13)8-11(14)7-9/h4,6-8,12,15H,2-3,5H2,1H3
InChIKeyJRTOPURETRTHTB-UHFFFAOYSA-N
MW244.16 g/mol
LogP4.22
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine

1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine (PubChem CID 105001020) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine
PubChem CID105001020
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2N/c1-3-5-15-12(4-2)9-6-10(13)8-11(14)7-9/h4,6-8,12,15H,2-3,5H2,1H3
InChIKeyJRTOPURETRTHTB-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 54.22
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-(3,5-dichlorophenyl)-N-propylbut-3-en-1-amine
CID 115815027
1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine
CID 107946193
1-(2,5-dichlorophenyl)-N-propylprop-2-en-1-amine
CID 105001064
1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114978904
1-(5-chloro-2-methoxyphenyl)-N-propylprop-2-en-1-amine
CID 105000957
1-(2,4-difluoro-5-methylphenyl)-N-propylprop-2-en-1-amine
CID 105000633
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 115859906
1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine
CID 81277074
N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497805
1-(4-bromo-2-methylphenyl)-N-propylprop-2-en-1-amine
CID 105000814
1-(5-ethylfuran-2-yl)-N-propylprop-2-en-1-amine
CID 105000824

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine (CID 105001020) is 1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine is C=CC(NCCC)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine?
The InChIKey is JRTOPURETRTHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-3-5-15-12(4-2)9-6-10(13)8-11(14)7-9/h4,6-8,12,15H,2-3,5H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine?
1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine has a molecular weight of 244.16 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 105001020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).