[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine

C11H13Cl2NO — CID 106437069

IUPAC[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine
SMILESC/C(=C/Cl)COc1cccc(Cl)c1CN
InChIInChI=1S/C11H13Cl2NO/c1-8(5-12)7-15-11-4-2-3-10(13)9(11)6-14/h2-5H,6-7,14H2,1H3/b8-5-
InChIKeyDJERQGKMRKYMQJ-YVMONPNESA-N
MW246.14 g/mol
LogP3.32
Rot. Bonds4

About [2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine

[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine (PubChem CID 106437069) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is [2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine
PubChem CID106437069
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine
SMILESC/C(=C/Cl)COc1cccc(Cl)c1CN
InChIInChI=1S/C11H13Cl2NO/c1-8(5-12)7-15-11-4-2-3-10(13)9(11)6-14/h2-5H,6-7,14H2,1H3/b8-5-
InChIKeyDJERQGKMRKYMQJ-YVMONPNESA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine
CID 106437071
N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
CID 114188741
[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine
CID 114318588
[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 114318333
2-amino-3-[(Z)-3-chloro-2-methylprop-2-enoxy]phenol
CID 106436628
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 114321489
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine
CID 106437083
2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine
CID 62501610
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylethanamine
CID 106436811

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine?
The IUPAC name of [2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine (CID 106437069) is [2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine is C/C(=C/Cl)COc1cccc(Cl)c1CN.
What is the InChIKey of [2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine?
The InChIKey is DJERQGKMRKYMQJ-YVMONPNESA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-8(5-12)7-15-11-4-2-3-10(13)9(11)6-14/h2-5H,6-7,14H2,1H3/b8-5-.
What are the key properties of [2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine?
[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine has a molecular weight of 246.14 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine is sourced from PubChem (CID 106437069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).