2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline

C18H23NO — CID 65216960

IUPAC2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline
SMILESCc1cc(OCCc2ccccc2)c(C(C)C)cc1N
InChIInChI=1S/C18H23NO/c1-13(2)16-12-17(19)14(3)11-18(16)20-10-9-15-7-5-4-6-8-15/h4-8,11-13H,9-10,19H2,1-3H3
InChIKeyPYVYVSTYQCJNHX-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.32
Rot. Bonds5

About 2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline

2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline (PubChem CID 65216960) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline.

Molecular Properties

Compound Name2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline
PubChem CID65216960
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline
SMILESCc1cc(OCCc2ccccc2)c(C(C)C)cc1N
InChIInChI=1S/C18H23NO/c1-13(2)16-12-17(19)14(3)11-18(16)20-10-9-15-7-5-4-6-8-15/h4-8,11-13H,9-10,19H2,1-3H3
InChIKeyPYVYVSTYQCJNHX-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.32
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-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
CID 115401938
4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline
CID 114524620
2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline
CID 106449346
5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
CID 65216687
2-(2-phenylethoxy)-5-propan-2-ylaniline
CID 54853034
4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline
CID 65365399
5-fluoro-2-methyl-4-(4-phenylbutoxy)aniline
CID 114416119
4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline
CID 103032541
4-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylaniline
CID 65216740
2-[(4-amino-5-methyl-2-propan-2-ylphenoxy)methyl]benzonitrile
CID 65217468
4-(2-tert-butylsulfonylethoxy)-2-methyl-5-propan-2-ylaniline
CID 106721708
5-bromo-2-(2-phenylethoxy)aniline
CID 26190375

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline?
The IUPAC name of 2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline (CID 65216960) is 2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline.
What is the SMILES notation for 2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline?
The canonical SMILES for 2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline is Cc1cc(OCCc2ccccc2)c(C(C)C)cc1N.
What is the InChIKey of 2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline?
The InChIKey is PYVYVSTYQCJNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)16-12-17(19)14(3)11-18(16)20-10-9-15-7-5-4-6-8-15/h4-8,11-13H,9-10,19H2,1-3H3.
What are the key properties of 2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline?
2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline is sourced from PubChem (CID 65216960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).