[2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine

C18H23NO — CID 63456891

IUPAC[2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)c(Oc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H23NO/c1-13-5-6-14(12-19)17(11-13)20-16-9-7-15(8-10-16)18(2,3)4/h5-11H,12,19H2,1-4H3
InChIKeyFTQNUGWYCAZBBK-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.54
Rot. Bonds3

About [2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine

[2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine (PubChem CID 63456891) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
PubChem CID63456891
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)c(Oc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H23NO/c1-13-5-6-14(12-19)17(11-13)20-16-9-7-15(8-10-16)18(2,3)4/h5-11H,12,19H2,1-4H3
InChIKeyFTQNUGWYCAZBBK-UHFFFAOYSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine
CID 63456905
[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
CID 62306766
[4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol
CID 62306971
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844
[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 105406659
1,4-bis(bromomethyl)-2,5-bis(4-tert-butylphenoxy)benzene
CID 100945891
[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 81322221
1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine
CID 79680205
[2-(2-methoxyphenoxy)-4-methylphenyl]methanamine
CID 62306948
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
CID 55038503

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine?
The IUPAC name of [2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine (CID 63456891) is [2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine.
What is the SMILES notation for [2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine?
The canonical SMILES for [2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine is Cc1ccc(CN)c(Oc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of [2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine?
The InChIKey is FTQNUGWYCAZBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-5-6-14(12-19)17(11-13)20-16-9-7-15(8-10-16)18(2,3)4/h5-11H,12,19H2,1-4H3.
What are the key properties of [2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine?
[2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine is sourced from PubChem (CID 63456891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).