2-methyl-1-(2-methylphenyl)prop-2-en-1-amine

C11H15N — CID 79190609

IUPAC2-methyl-1-(2-methylphenyl)prop-2-en-1-amine
SMILESC=C(C)C(N)c1ccccc1C
InChIInChI=1S/C11H15N/c1-8(2)11(12)10-7-5-4-6-9(10)3/h4-7,11H,1,12H2,2-3H3
InChIKeyHOJFRNCUNFTQAD-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.57
Rot. Bonds2

About 2-methyl-1-(2-methylphenyl)prop-2-en-1-amine

2-methyl-1-(2-methylphenyl)prop-2-en-1-amine (PubChem CID 79190609) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-methyl-1-(2-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methylphenyl)prop-2-en-1-amine
PubChem CID79190609
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-methyl-1-(2-methylphenyl)prop-2-en-1-amine
SMILESC=C(C)C(N)c1ccccc1C
InChIInChI=1S/C11H15N/c1-8(2)11(12)10-7-5-4-6-9(10)3/h4-7,11H,1,12H2,2-3H3
InChIKeyHOJFRNCUNFTQAD-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylphenyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(2-methylphenyl)prop-2-en-1-amine (CID 79190609) is 2-methyl-1-(2-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(2-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(2-methylphenyl)prop-2-en-1-amine is C=C(C)C(N)c1ccccc1C.
What is the InChIKey of 2-methyl-1-(2-methylphenyl)prop-2-en-1-amine?
The InChIKey is HOJFRNCUNFTQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8(2)11(12)10-7-5-4-6-9(10)3/h4-7,11H,1,12H2,2-3H3.
What are the key properties of 2-methyl-1-(2-methylphenyl)prop-2-en-1-amine?
2-methyl-1-(2-methylphenyl)prop-2-en-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 79190609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).