2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline

C17H21N — CID 82084381

IUPAC2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline
SMILESCc1cc(-c2ccc(C(C)C)cc2)cc(N)c1C
InChIInChI=1S/C17H21N/c1-11(2)14-5-7-15(8-6-14)16-9-12(3)13(4)17(18)10-16/h5-11H,18H2,1-4H3
InChIKeyGKAJEWXTCQXILY-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.68
Rot. Bonds2

About 2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline

2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline (PubChem CID 82084381) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline
PubChem CID82084381
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline
SMILESCc1cc(-c2ccc(C(C)C)cc2)cc(N)c1C
InChIInChI=1S/C17H21N/c1-11(2)14-5-7-15(8-6-14)16-9-12(3)13(4)17(18)10-16/h5-11H,18H2,1-4H3
InChIKeyGKAJEWXTCQXILY-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.68
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 2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline?
The IUPAC name of 2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline (CID 82084381) is 2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline.
What is the SMILES notation for 2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline?
The canonical SMILES for 2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline is Cc1cc(-c2ccc(C(C)C)cc2)cc(N)c1C.
What is the InChIKey of 2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline?
The InChIKey is GKAJEWXTCQXILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-11(2)14-5-7-15(8-6-14)16-9-12(3)13(4)17(18)10-16/h5-11H,18H2,1-4H3.
What are the key properties of 2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline?
2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline has a molecular weight of 239.36 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(4-propan-2-ylphenyl)aniline is sourced from PubChem (CID 82084381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).