[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine

C10H11Cl2NO — CID 114318588

IUPAC[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine
SMILESC=C(Cl)COc1cccc(Cl)c1CN
InChIInChI=1S/C10H11Cl2NO/c1-7(11)6-14-10-4-2-3-9(12)8(10)5-13/h2-4H,1,5-6,13H2
InChIKeyUOWANXGWJFJMLI-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.93
Rot. Bonds4

About [2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine

[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine (PubChem CID 114318588) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is [2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine
PubChem CID114318588
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine
SMILESC=C(Cl)COc1cccc(Cl)c1CN
InChIInChI=1S/C10H11Cl2NO/c1-7(11)6-14-10-4-2-3-9(12)8(10)5-13/h2-4H,1,5-6,13H2
InChIKeyUOWANXGWJFJMLI-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine
CID 106437069
2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
CID 103066836
N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113276768
2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 114321489
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 114318333
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
CID 28966226
[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine
CID 114318452
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide
CID 114318480

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine (CID 114318588) is [2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine is C=C(Cl)COc1cccc(Cl)c1CN.
What is the InChIKey of [2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine?
The InChIKey is UOWANXGWJFJMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-7(11)6-14-10-4-2-3-9(12)8(10)5-13/h2-4H,1,5-6,13H2.
What are the key properties of [2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine?
[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine has a molecular weight of 232.11 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine is sourced from PubChem (CID 114318588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).