1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine

C14H21N — CID 105001112

IUPAC1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)c1ccccc1C(C)(C)C
InChIInChI=1S/C14H21N/c1-6-13(15-5)11-9-7-8-10-12(11)14(2,3)4/h6-10,13,15H,1H2,2-5H3
InChIKeyBQXZOSMQOVWRGQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.43
Rot. Bonds3

About 1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine

1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine (PubChem CID 105001112) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine
PubChem CID105001112
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)c1ccccc1C(C)(C)C
InChIInChI=1S/C14H21N/c1-6-13(15-5)11-9-7-8-10-12(11)14(2,3)4/h6-10,13,15H,1H2,2-5H3
InChIKeyBQXZOSMQOVWRGQ-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.43
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 1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine (CID 105001112) is 1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine is C=CC(NC)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine?
The InChIKey is BQXZOSMQOVWRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-6-13(15-5)11-9-7-8-10-12(11)14(2,3)4/h6-10,13,15H,1H2,2-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine?
1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 105001112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).