4-methyl-N-(2-methylpropyl)aniline

C11H17N — CID 14372419

IUPAC4-methyl-N-(2-methylpropyl)aniline
SMILESCc1ccc(NCC(C)C)cc1
InChIInChI=1S/C11H17N/c1-9(2)8-12-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKeyWZWNIVYQWJRDQX-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.06
Rot. Bonds3

About 4-methyl-N-(2-methylpropyl)aniline

4-methyl-N-(2-methylpropyl)aniline (PubChem CID 14372419) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)aniline
PubChem CID14372419
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-methyl-N-(2-methylpropyl)aniline
SMILESCc1ccc(NCC(C)C)cc1
InChIInChI=1S/C11H17N/c1-9(2)8-12-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKeyWZWNIVYQWJRDQX-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)aniline?
The IUPAC name of 4-methyl-N-(2-methylpropyl)aniline (CID 14372419) is 4-methyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)aniline is Cc1ccc(NCC(C)C)cc1.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)aniline?
The InChIKey is WZWNIVYQWJRDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)8-12-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methylpropyl)aniline?
4-methyl-N-(2-methylpropyl)aniline has a molecular weight of 163.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 14372419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).