2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine

C12H15Cl2NO — CID 60905717

IUPAC2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine
SMILESC=C(C)COc1c(Cl)cc(Cl)cc1CCN
InChIInChI=1S/C12H15Cl2NO/c1-8(2)7-16-12-9(3-4-15)5-10(13)6-11(12)14/h5-6H,1,3-4,7,15H2,2H3
InChIKeyMQHJUGHKJKQGIS-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.45
Rot. Bonds5

About 2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine

2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine (PubChem CID 60905717) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine
PubChem CID60905717
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine
SMILESC=C(C)COc1c(Cl)cc(Cl)cc1CCN
InChIInChI=1S/C12H15Cl2NO/c1-8(2)7-16-12-9(3-4-15)5-10(13)6-11(12)14/h5-6H,1,3-4,7,15H2,2H3
InChIKeyMQHJUGHKJKQGIS-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide
CID 54931009
3,5-dichloro-2-(2-methylprop-2-enoxy)aniline
CID 54853382
N-[[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60887324
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide
CID 60905923
2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
CID 81114613
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
CID 60922555
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488542
3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide
CID 54930692
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271
4-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylbutanamide
CID 63891456
2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
CID 65459079

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine?
The IUPAC name of 2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine (CID 60905717) is 2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine is C=C(C)COc1c(Cl)cc(Cl)cc1CCN.
What is the InChIKey of 2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine?
The InChIKey is MQHJUGHKJKQGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-8(2)7-16-12-9(3-4-15)5-10(13)6-11(12)14/h5-6H,1,3-4,7,15H2,2H3.
What are the key properties of 2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine?
2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine has a molecular weight of 260.16 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine is sourced from PubChem (CID 60905717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).