[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine

C19H25NO — CID 63456904

IUPAC[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1Oc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C19H25NO/c1-13-10-15(12-20)6-8-17(13)21-18-9-7-16(11-14(18)2)19(3,4)5/h6-11H,12,20H2,1-5H3
InChIKeyRHRSWRFSWIXUQA-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.85
Rot. Bonds3

About [4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine

[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine (PubChem CID 63456904) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is [4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
PubChem CID63456904
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1Oc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C19H25NO/c1-13-10-15(12-20)6-8-17(13)21-18-9-7-16(11-14(18)2)19(3,4)5/h6-11H,12,20H2,1-5H3
InChIKeyRHRSWRFSWIXUQA-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 ≤ 500283.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine?
The IUPAC name of [4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine (CID 63456904) is [4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine.
What is the SMILES notation for [4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine?
The canonical SMILES for [4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine is Cc1cc(CN)ccc1Oc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of [4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine?
The InChIKey is RHRSWRFSWIXUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13-10-15(12-20)6-8-17(13)21-18-9-7-16(11-14(18)2)19(3,4)5/h6-11H,12,20H2,1-5H3.
What are the key properties of [4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine?
[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine has a molecular weight of 283.42 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 [4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine is sourced from PubChem (CID 63456904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).