[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine

C15H16ClNO — CID 28966143

IUPAC[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
SMILESCc1ccc(C)c(Oc2cccc(Cl)c2CN)c1
InChIInChI=1S/C15H16ClNO/c1-10-6-7-11(2)15(8-10)18-14-5-3-4-13(16)12(14)9-17/h3-8H,9,17H2,1-2H3
InChIKeyVEYPMDZUFBSVCI-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.21
Rot. Bonds3

About [2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine

[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine (PubChem CID 28966143) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is [2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
PubChem CID28966143
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
SMILESCc1ccc(C)c(Oc2cccc(Cl)c2CN)c1
InChIInChI=1S/C15H16ClNO/c1-10-6-7-11(2)15(8-10)18-14-5-3-4-13(16)12(14)9-17/h3-8H,9,17H2,1-2H3
InChIKeyVEYPMDZUFBSVCI-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene
CID 28947175
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
[2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine
CID 114879926
2-chloro-6-(2,5-dimethylphenoxy)benzoic acid
CID 29037319
[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
CID 28966226
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844
[2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine
CID 114318594
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
CID 19792455
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine (CID 28966143) is [2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine is Cc1ccc(C)c(Oc2cccc(Cl)c2CN)c1.
What is the InChIKey of [2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine?
The InChIKey is VEYPMDZUFBSVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-6-7-11(2)15(8-10)18-14-5-3-4-13(16)12(14)9-17/h3-8H,9,17H2,1-2H3.
What are the key properties of [2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine?
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine has a molecular weight of 261.75 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine is sourced from PubChem (CID 28966143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).