[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine

C19H25NO — CID 22688671

IUPAC[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(OCc2ccc(CN)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C19H25NO/c1-14-5-10-18(17(11-14)19(2,3)4)21-13-16-8-6-15(12-20)7-9-16/h5-11H,12-13,20H2,1-4H3
InChIKeyIBBFJKOLVCVYFY-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.33
Rot. Bonds4

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

[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine (PubChem CID 22688671) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is [4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine
PubChem CID22688671
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(OCc2ccc(CN)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C19H25NO/c1-14-5-10-18(17(11-14)19(2,3)4)21-13-16-8-6-15(12-20)7-9-16/h5-11H,12-13,20H2,1-4H3
InChIKeyIBBFJKOLVCVYFY-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-tert-butyl-4-methylphenoxy)methyl]-5-fluoroaniline
CID 115980160
1-[(3-bromo-4-fluorophenyl)methoxy]-2-tert-butyl-4-methylbenzene
CID 63456690
[5-[(2-tert-butyl-4-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 62244490
[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine
CID 102814455
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688691
3-[(2-tert-butyl-5-methylphenoxy)methyl]aniline
CID 29012995
[2-[(2-tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79262186
2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine
CID 103054684
2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745299
[3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine
CID 62674098
5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine
CID 62193136
2-amino-6-(2-tert-butyl-4-methylphenoxy)-2-methylhexan-1-ol
CID 64802218

Frequently Asked Questions

What is the IUPAC name of [4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine (CID 22688671) is [4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine is Cc1ccc(OCc2ccc(CN)cc2)c(C(C)(C)C)c1.
What is the InChIKey of [4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine?
The InChIKey is IBBFJKOLVCVYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-5-10-18(17(11-14)19(2,3)4)21-13-16-8-6-15(12-20)7-9-16/h5-11H,12-13,20H2,1-4H3.
What are the key properties of [4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine?
[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine has a molecular weight of 283.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 22688671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).