3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine

C12H15Cl2NO — CID 79340039

IUPAC3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESCOCCNCC=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-16-9-8-15-7-3-4-10-11(13)5-2-6-12(10)14/h2-6,15H,7-9H2,1H3
InChIKeyQPFCYKNOWROGFV-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.24
Rot. Bonds6

About 3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine

3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine (PubChem CID 79340039) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
PubChem CID79340039
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESCOCCNCC=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-16-9-8-15-7-3-4-10-11(13)5-2-6-12(10)14/h2-6,15H,7-9H2,1H3
InChIKeyQPFCYKNOWROGFV-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347868
(E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 112618766
N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine
CID 79340458
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
4-(2-chlorophenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79598671
N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 116690537
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
2-(2,3-dichlorophenyl)-N-(2-methoxyethyl)ethanamine
CID 62800794
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340867
2-chloro-6-(4-methoxybutoxy)benzaldehyde
CID 104647699
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 66241764

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine (CID 79340039) is 3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine is COCCNCC=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The InChIKey is QPFCYKNOWROGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-16-9-8-15-7-3-4-10-11(13)5-2-6-12(10)14/h2-6,15H,7-9H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine has a molecular weight of 260.16 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine is sourced from PubChem (CID 79340039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).