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

C13H17Cl2NO — CID 79337172

IUPAC3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
SMILESCOCCNCC(C)=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-10(9-16-3-4-17-2)5-11-6-12(14)8-13(15)7-11/h5-8,16H,3-4,9H2,1-2H3
InChIKeyYTMAJOPBUSIAEY-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.63
Rot. Bonds6

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

3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine (PubChem CID 79337172) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
PubChem CID79337172
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
SMILESCOCCNCC(C)=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-10(9-16-3-4-17-2)5-11-6-12(14)8-13(15)7-11/h5-8,16H,3-4,9H2,1-2H3
InChIKeyYTMAJOPBUSIAEY-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.63
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

(E)-3-(3-chloro-5-fluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 114455133
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 81156215
N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79344316
3-(3,4-difluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337388
N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine
CID 79337069
N-(2-methoxyethyl)-2-methyl-3-(3-nitrophenyl)prop-2-en-1-amine
CID 79337978
(E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine
CID 105379788
3-(3,5-dimethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340398
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79338510
1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene
CID 79323836
N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine
CID 79337591
(2E)-2-[(3,5-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 106534568

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine (CID 79337172) is 3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine is COCCNCC(C)=Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine?
The InChIKey is YTMAJOPBUSIAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-10(9-16-3-4-17-2)5-11-6-12(14)8-13(15)7-11/h5-8,16H,3-4,9H2,1-2H3.
What are the key properties of 3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine?
3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine has a molecular weight of 274.19 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79337172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).