1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine

C13H17N — CID 163242484

IUPAC1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine
SMILESC#Cc1ccc(CC(C)(C)NC)cc1
InChIInChI=1S/C13H17N/c1-5-11-6-8-12(9-7-11)10-13(2,3)14-4/h1,6-9,14H,10H2,2-4H3
InChIKeyZUJDZONGQLRJOD-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.21
Rot. Bonds3

About 1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine

1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine (PubChem CID 163242484) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine
PubChem CID163242484
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine
SMILESC#Cc1ccc(CC(C)(C)NC)cc1
InChIInChI=1S/C13H17N/c1-5-11-6-8-12(9-7-11)10-13(2,3)14-4/h1,6-9,14H,10H2,2-4H3
InChIKeyZUJDZONGQLRJOD-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methamphetamine
CID 10836
Mephentermine
CID 3677
Levmetamfetamine
CID 36604
(+)-Methamphetamine hydrochloride
CID 66124
N-Methylbenzeneethanamine
CID 11503
(1-Phenylpropan-2-yl)(prop-2-yn-1-yl)amine
CID 200718
N-Ethylamphetamine
CID 9982
Phenpromethamine
CID 22276
1-(4-Methylphenyl)propane-2-amine
CID 199116
p-Methylphenethylamine
CID 76751
DL-methamphetamine
CID 1206
Benzeneethanamine, N,alpha-dimethyl-, hydrochloride (1:1)
CID 9306

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine (CID 163242484) is 1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine is C#Cc1ccc(CC(C)(C)NC)cc1.
What is the InChIKey of 1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine?
The InChIKey is ZUJDZONGQLRJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-5-11-6-8-12(9-7-11)10-13(2,3)14-4/h1,6-9,14H,10H2,2-4H3.
What are the key properties of 1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine?
1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine has a molecular weight of 187.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 163242484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).