4-methyl-N-propan-2-ylaniline

C10H15N — CID 13331793

IUPAC4-methyl-N-propan-2-ylaniline
SMILESCc1ccc(NC(C)C)cc1
InChIInChI=1S/C10H15N/c1-8(2)11-10-6-4-9(3)5-7-10/h4-8,11H,1-3H3
InChIKeyOMQZTBCIXIXKBF-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.82
Rot. Bonds2

About 4-methyl-N-propan-2-ylaniline

4-methyl-N-propan-2-ylaniline (PubChem CID 13331793) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-methyl-N-propan-2-ylaniline
PubChem CID13331793
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4-methyl-N-propan-2-ylaniline
SMILESCc1ccc(NC(C)C)cc1
InChIInChI=1S/C10H15N/c1-8(2)11-10-6-4-9(3)5-7-10/h4-8,11H,1-3H3
InChIKeyOMQZTBCIXIXKBF-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-ylaniline?
The IUPAC name of 4-methyl-N-propan-2-ylaniline (CID 13331793) is 4-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 4-methyl-N-propan-2-ylaniline?
The canonical SMILES for 4-methyl-N-propan-2-ylaniline is Cc1ccc(NC(C)C)cc1.
What is the InChIKey of 4-methyl-N-propan-2-ylaniline?
The InChIKey is OMQZTBCIXIXKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)11-10-6-4-9(3)5-7-10/h4-8,11H,1-3H3.
What are the key properties of 4-methyl-N-propan-2-ylaniline?
4-methyl-N-propan-2-ylaniline has a molecular weight of 149.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 13331793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).