3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline

C18H23N — CID 66259186

IUPAC3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline
SMILESCCC(C)(C)c1ccc(-c2ccc(N)cc2C)cc1
InChIInChI=1S/C18H23N/c1-5-18(3,4)15-8-6-14(7-9-15)17-11-10-16(19)12-13(17)2/h6-12H,5,19H2,1-4H3
InChIKeySWAAMOYCADSPKL-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.93
Rot. Bonds3

About 3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline

3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline (PubChem CID 66259186) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline.

Molecular Properties

Compound Name3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline
PubChem CID66259186
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline
SMILESCCC(C)(C)c1ccc(-c2ccc(N)cc2C)cc1
InChIInChI=1S/C18H23N/c1-5-18(3,4)15-8-6-14(7-9-15)17-11-10-16(19)12-13(17)2/h6-12H,5,19H2,1-4H3
InChIKeySWAAMOYCADSPKL-UHFFFAOYSA-N
XLogP4.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline?
The IUPAC name of 3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline (CID 66259186) is 3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline.
What is the SMILES notation for 3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline?
The canonical SMILES for 3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline is CCC(C)(C)c1ccc(-c2ccc(N)cc2C)cc1.
What is the InChIKey of 3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline?
The InChIKey is SWAAMOYCADSPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-5-18(3,4)15-8-6-14(7-9-15)17-11-10-16(19)12-13(17)2/h6-12H,5,19H2,1-4H3.
What are the key properties of 3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline?
3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline has a molecular weight of 253.39 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline is sourced from PubChem (CID 66259186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).