2-methyl-4-propan-2-ylaniline

C10H15N — CID 18517012

IUPAC2-methyl-4-propan-2-ylaniline
SMILESCc1cc(C(C)C)ccc1N
InChIInChI=1S/C10H15N/c1-7(2)9-4-5-10(11)8(3)6-9/h4-7H,11H2,1-3H3
InChIKeyWYWNLVJBQRJIOU-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.70
Rot. Bonds1

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

2-methyl-4-propan-2-ylaniline (PubChem CID 18517012) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-methyl-4-propan-2-ylaniline.

Molecular Properties

Compound Name2-methyl-4-propan-2-ylaniline
PubChem CID18517012
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-methyl-4-propan-2-ylaniline
SMILESCc1cc(C(C)C)ccc1N
InChIInChI=1S/C10H15N/c1-7(2)9-4-5-10(11)8(3)6-9/h4-7H,11H2,1-3H3
InChIKeyWYWNLVJBQRJIOU-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.70
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-methyl-4-propan-2-ylaniline?
The IUPAC name of 2-methyl-4-propan-2-ylaniline (CID 18517012) is 2-methyl-4-propan-2-ylaniline.
What is the SMILES notation for 2-methyl-4-propan-2-ylaniline?
The canonical SMILES for 2-methyl-4-propan-2-ylaniline is Cc1cc(C(C)C)ccc1N.
What is the InChIKey of 2-methyl-4-propan-2-ylaniline?
The InChIKey is WYWNLVJBQRJIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7(2)9-4-5-10(11)8(3)6-9/h4-7H,11H2,1-3H3.
What are the key properties of 2-methyl-4-propan-2-ylaniline?
2-methyl-4-propan-2-ylaniline has a molecular weight of 149.24 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-ylaniline is sourced from PubChem (CID 18517012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).