[2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine

C19H25NO — CID 63456905

IUPAC[2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)c(Oc2ccc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C19H25NO/c1-13-6-7-15(12-20)18(10-13)21-17-9-8-16(11-14(17)2)19(3,4)5/h6-11H,12,20H2,1-5H3
InChIKeyMLIDJSXKNJLJJV-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.85
Rot. Bonds3

About [2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine

[2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine (PubChem CID 63456905) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is [2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine
PubChem CID63456905
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name[2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)c(Oc2ccc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C19H25NO/c1-13-6-7-15(12-20)18(10-13)21-17-9-8-16(11-14(17)2)19(3,4)5/h6-11H,12,20H2,1-5H3
InChIKeyMLIDJSXKNJLJJV-UHFFFAOYSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 63456891
[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844
[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
CID 63456904
[2-(2,4-dimethylphenoxy)phenyl]methanamine
CID 19627395
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
[2-(2-methoxyphenoxy)-4-methylphenyl]methanamine
CID 62306948
1-[5-bromo-2-(bromomethyl)phenoxy]-4-tert-butyl-2-methylbenzene
CID 107087596
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
[4-bromo-2-(4-tert-butyl-2-methylphenoxy)phenyl]methanol
CID 43365121
1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine
CID 79680205
[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
CID 62306766
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine?
The IUPAC name of [2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine (CID 63456905) is [2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine.
What is the SMILES notation for [2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine?
The canonical SMILES for [2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine is Cc1ccc(CN)c(Oc2ccc(C(C)(C)C)cc2C)c1.
What is the InChIKey of [2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine?
The InChIKey is MLIDJSXKNJLJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13-6-7-15(12-20)18(10-13)21-17-9-8-16(11-14(17)2)19(3,4)5/h6-11H,12,20H2,1-5H3.
What are the key properties of [2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine?
[2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine has a molecular weight of 283.41 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine is sourced from PubChem (CID 63456905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).