[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine

C10H11Cl2NO — CID 114318333

IUPAC[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
SMILESNCc1c(Cl)cccc1OC/C=C/Cl
InChIInChI=1S/C10H11Cl2NO/c11-5-2-6-14-10-4-1-3-9(12)8(10)7-13/h1-5H,6-7,13H2/b5-2+
InChIKeyDKUSCXDICKPXDP-GORDUTHDSA-N
MW232.11 g/mol
LogP2.93
Rot. Bonds4

About [2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine

[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine (PubChem CID 114318333) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is [2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
PubChem CID114318333
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
SMILESNCc1c(Cl)cccc1OC/C=C/Cl
InChIInChI=1S/C10H11Cl2NO/c11-5-2-6-14-10-4-1-3-9(12)8(10)7-13/h1-5H,6-7,13H2/b5-2+
InChIKeyDKUSCXDICKPXDP-GORDUTHDSA-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

[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine
CID 106437069
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
CID 60905172
[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine
CID 114318588
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine
CID 114318452
2-chloro-3-(3-chloroprop-2-enoxy)pyridine
CID 77056049
4-chloro-3-[(E)-3-chloroprop-2-enoxy]aniline
CID 107899501
5-[2-(aminomethyl)-3-chlorophenoxy]pentanenitrile
CID 114318568
[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 114318379

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine?
The IUPAC name of [2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine (CID 114318333) is [2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine is NCc1c(Cl)cccc1OC/C=C/Cl.
What is the InChIKey of [2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine?
The InChIKey is DKUSCXDICKPXDP-GORDUTHDSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c11-5-2-6-14-10-4-1-3-9(12)8(10)7-13/h1-5H,6-7,13H2/b5-2+.
What are the key properties of [2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine?
[2-chloro-6-[(E)-3-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-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine is sourced from PubChem (CID 114318333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).