2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline

C17H21NO — CID 26190303

IUPAC2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline
SMILESCc1cc(Oc2cc(C(C)C)ccc2C)ccc1N
InChIInChI=1S/C17H21NO/c1-11(2)14-6-5-12(3)17(10-14)19-15-7-8-16(18)13(4)9-15/h5-11H,18H2,1-4H3
InChIKeyXFWAKRQUBYOOLJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.80
Rot. Bonds3

About 2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline

2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline (PubChem CID 26190303) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline.

Molecular Properties

Compound Name2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline
PubChem CID26190303
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline
SMILESCc1cc(Oc2cc(C(C)C)ccc2C)ccc1N
InChIInChI=1S/C17H21NO/c1-11(2)14-6-5-12(3)17(10-14)19-15-7-8-16(18)13(4)9-15/h5-11H,18H2,1-4H3
InChIKeyXFWAKRQUBYOOLJ-UHFFFAOYSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.80
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

1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 104529321
4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
N-methyl-1-[4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552391
6-chloro-2-(2-methyl-5-propan-2-ylphenoxy)pyridin-3-amine
CID 115474511
4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline
CID 139654231
(1R)-1-[5-(2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937883
4-bromo-2-(4-propan-2-ylphenoxy)aniline
CID 65342696
5-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-3-amine
CID 62476910
1,2,3,4-tetramethyl-5-(2-methyl-5-propan-2-ylphenoxy)benzene
CID 71382787
3,5-dichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-2-amine
CID 102760807
5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80875224
(4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol
CID 91678464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline?
The IUPAC name of 2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline (CID 26190303) is 2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline.
What is the SMILES notation for 2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline?
The canonical SMILES for 2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline is Cc1cc(Oc2cc(C(C)C)ccc2C)ccc1N.
What is the InChIKey of 2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline?
The InChIKey is XFWAKRQUBYOOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11(2)14-6-5-12(3)17(10-14)19-15-7-8-16(18)13(4)9-15/h5-11H,18H2,1-4H3.
What are the key properties of 2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline?
2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline has a molecular weight of 255.36 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline is sourced from PubChem (CID 26190303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).