[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine

C15H16ClNO — CID 55038503

IUPAC[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
SMILESCc1ccc(Cl)c(Oc2ccc(CN)c(C)c2)c1
InChIInChI=1S/C15H16ClNO/c1-10-3-6-14(16)15(7-10)18-13-5-4-12(9-17)11(2)8-13/h3-8H,9,17H2,1-2H3
InChIKeyDDDVLNRLGRGQAE-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.21
Rot. Bonds3

About [4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine

[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine (PubChem CID 55038503) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is [4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
PubChem CID55038503
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
SMILESCc1ccc(Cl)c(Oc2ccc(CN)c(C)c2)c1
InChIInChI=1S/C15H16ClNO/c1-10-3-6-14(16)15(7-10)18-13-5-4-12(9-17)11(2)8-13/h3-8H,9,17H2,1-2H3
InChIKeyDDDVLNRLGRGQAE-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

[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine
CID 107655066
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
2-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]ethanamine
CID 63804026
2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene
CID 114060625
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
CID 81299924
1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63552216
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
[2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926522
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
CID 62306766
[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
CID 104706389

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine?
The IUPAC name of [4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine (CID 55038503) is [4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine.
What is the SMILES notation for [4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine?
The canonical SMILES for [4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine is Cc1ccc(Cl)c(Oc2ccc(CN)c(C)c2)c1.
What is the InChIKey of [4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine?
The InChIKey is DDDVLNRLGRGQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-3-6-14(16)15(7-10)18-13-5-4-12(9-17)11(2)8-13/h3-8H,9,17H2,1-2H3.
What are the key properties of [4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine?
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]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-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine is sourced from PubChem (CID 55038503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).