[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine

C15H16ClNO — CID 20993580

IUPAC[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
SMILESCc1cc(Oc2ccc(CN)cc2)cc(C)c1Cl
InChIInChI=1S/C15H16ClNO/c1-10-7-14(8-11(2)15(10)16)18-13-5-3-12(9-17)4-6-13/h3-8H,9,17H2,1-2H3
InChIKeyGZDDWTKLISDGTC-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.21
Rot. Bonds3

About [4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine

[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine (PubChem CID 20993580) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is [4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
PubChem CID20993580
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
SMILESCc1cc(Oc2ccc(CN)cc2)cc(C)c1Cl
InChIInChI=1S/C15H16ClNO/c1-10-7-14(8-11(2)15(10)16)18-13-5-3-12(9-17)4-6-13/h3-8H,9,17H2,1-2H3
InChIKeyGZDDWTKLISDGTC-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

[3-bromo-5-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
CID 102814623
4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide
CID 43175694
[3-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 22683215
4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol
CID 155040115
1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63803663
[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531350
2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine
CID 107726956
[4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 20986827
[4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methanamine
CID 20984235
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373
[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine
CID 81342015
[4-(4-fluorophenoxy)phenyl]methanamine;hydrochloride
CID 10308088

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine?
The IUPAC name of [4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine (CID 20993580) is [4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine.
What is the SMILES notation for [4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine?
The canonical SMILES for [4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine is Cc1cc(Oc2ccc(CN)cc2)cc(C)c1Cl.
What is the InChIKey of [4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine?
The InChIKey is GZDDWTKLISDGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-7-14(8-11(2)15(10)16)18-13-5-3-12(9-17)4-6-13/h3-8H,9,17H2,1-2H3.
What are the key properties of [4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine?
[4-(4-chloro-3,5-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 [4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine is sourced from PubChem (CID 20993580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).