3-ethenyl-N-methyl-4-propan-2-ylaniline

C12H17N — CID 170071365

IUPAC3-ethenyl-N-methyl-4-propan-2-ylaniline
SMILESC=Cc1cc(NC)ccc1C(C)C
InChIInChI=1S/C12H17N/c1-5-10-8-11(13-4)6-7-12(10)9(2)3/h5-9,13H,1H2,2-4H3
InChIKeyHKMSBZNOZFQMJY-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.49
Rot. Bonds3

About 3-ethenyl-N-methyl-4-propan-2-ylaniline

3-ethenyl-N-methyl-4-propan-2-ylaniline (PubChem CID 170071365) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-ethenyl-N-methyl-4-propan-2-ylaniline.

Molecular Properties

Compound Name3-ethenyl-N-methyl-4-propan-2-ylaniline
PubChem CID170071365
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name3-ethenyl-N-methyl-4-propan-2-ylaniline
SMILESC=Cc1cc(NC)ccc1C(C)C
InChIInChI=1S/C12H17N/c1-5-10-8-11(13-4)6-7-12(10)9(2)3/h5-9,13H,1H2,2-4H3
InChIKeyHKMSBZNOZFQMJY-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-methyl-4-propan-2-ylaniline?
The IUPAC name of 3-ethenyl-N-methyl-4-propan-2-ylaniline (CID 170071365) is 3-ethenyl-N-methyl-4-propan-2-ylaniline.
What is the SMILES notation for 3-ethenyl-N-methyl-4-propan-2-ylaniline?
The canonical SMILES for 3-ethenyl-N-methyl-4-propan-2-ylaniline is C=Cc1cc(NC)ccc1C(C)C.
What is the InChIKey of 3-ethenyl-N-methyl-4-propan-2-ylaniline?
The InChIKey is HKMSBZNOZFQMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-5-10-8-11(13-4)6-7-12(10)9(2)3/h5-9,13H,1H2,2-4H3.
What are the key properties of 3-ethenyl-N-methyl-4-propan-2-ylaniline?
3-ethenyl-N-methyl-4-propan-2-ylaniline has a molecular weight of 175.27 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-methyl-4-propan-2-ylaniline is sourced from PubChem (CID 170071365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).