2-(3-tert-butylphenoxy)-4-methylaniline

C17H21NO — CID 26189582

IUPAC2-(3-tert-butylphenoxy)-4-methylaniline
SMILESCc1ccc(N)c(Oc2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C17H21NO/c1-12-8-9-15(18)16(10-12)19-14-7-5-6-13(11-14)17(2,3)4/h5-11H,18H2,1-4H3
InChIKeyNBGLSYMXIKXRSR-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.67
Rot. Bonds2

About 2-(3-tert-butylphenoxy)-4-methylaniline

2-(3-tert-butylphenoxy)-4-methylaniline (PubChem CID 26189582) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-4-methylaniline.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-4-methylaniline
PubChem CID26189582
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(3-tert-butylphenoxy)-4-methylaniline
SMILESCc1ccc(N)c(Oc2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C17H21NO/c1-12-8-9-15(18)16(10-12)19-14-7-5-6-13(11-14)17(2,3)4/h5-11H,18H2,1-4H3
InChIKeyNBGLSYMXIKXRSR-UHFFFAOYSA-N
XLogP4.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
2-(3-ethoxyphenoxy)-4-methylaniline
CID 26189621
2-[3-(dimethylamino)phenoxy]-4-methylaniline
CID 26189579
2,4-bis(3-methylphenoxy)aniline
CID 34173748
3-(2-tert-butyl-5-methylphenoxy)aniline
CID 80752414
2-(3-tert-butylphenoxy)-5-chloroaniline
CID 26189308
5-bromo-2-(3-tert-butylphenoxy)-4-fluoroaniline
CID 66111747
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841
6-(3-tert-butylphenoxy)pyridine-2,3-diamine
CID 79827061
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
2-amino-3-(3-tert-butylphenoxy)benzonitrile
CID 104717204
2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol
CID 141214780

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-4-methylaniline?
The IUPAC name of 2-(3-tert-butylphenoxy)-4-methylaniline (CID 26189582) is 2-(3-tert-butylphenoxy)-4-methylaniline.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-4-methylaniline?
The canonical SMILES for 2-(3-tert-butylphenoxy)-4-methylaniline is Cc1ccc(N)c(Oc2cccc(C(C)(C)C)c2)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-4-methylaniline?
The InChIKey is NBGLSYMXIKXRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-8-9-15(18)16(10-12)19-14-7-5-6-13(11-14)17(2,3)4/h5-11H,18H2,1-4H3.
What are the key properties of 2-(3-tert-butylphenoxy)-4-methylaniline?
2-(3-tert-butylphenoxy)-4-methylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-4-methylaniline is sourced from PubChem (CID 26189582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).