1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine

C12H15Cl2NO — CID 114321838

IUPAC1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
SMILESC=C(Cl)COc1cccc(Cl)c1CC(C)N
InChIInChI=1S/C12H15Cl2NO/c1-8(13)7-16-12-5-3-4-11(14)10(12)6-9(2)15/h3-5,9H,1,6-7,15H2,2H3
InChIKeyLOXKDJNLSCJIPS-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.36
Rot. Bonds5

About 1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine

1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine (PubChem CID 114321838) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
PubChem CID114321838
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
SMILESC=C(Cl)COc1cccc(Cl)c1CC(C)N
InChIInChI=1S/C12H15Cl2NO/c1-8(13)7-16-12-5-3-4-11(14)10(12)6-9(2)15/h3-5,9H,1,6-7,15H2,2H3
InChIKeyLOXKDJNLSCJIPS-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine
CID 114318588
ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
CID 114321887
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-[2-(2-chloroprop-2-enoxy)naphthalen-1-yl]propan-2-amine
CID 54929324
N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113276768
2-[2-(2-aminopropyl)-3-chlorophenoxy]-N-propylacetamide
CID 114321885
1-[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]butan-2-amine
CID 113277161
1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
CID 114321772
1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
CID 113277136
1-[2-chloro-6-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63816825
1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 63803488
1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine (CID 114321838) is 1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine is C=C(Cl)COc1cccc(Cl)c1CC(C)N.
What is the InChIKey of 1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine?
The InChIKey is LOXKDJNLSCJIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-8(13)7-16-12-5-3-4-11(14)10(12)6-9(2)15/h3-5,9H,1,6-7,15H2,2H3.
What are the key properties of 1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine?
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine has a molecular weight of 260.16 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine is sourced from PubChem (CID 114321838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).