1-(2,4,6-trimethylphenyl)prop-2-en-1-amine

C12H17N — CID 55282598

IUPAC1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
SMILESC=CC(N)c1c(C)cc(C)cc1C
InChIInChI=1S/C12H17N/c1-5-11(13)12-9(3)6-8(2)7-10(12)4/h5-7,11H,1,13H2,2-4H3
InChIKeyTXTKLDBILFKUKK-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.80
Rot. Bonds2

About 1-(2,4,6-trimethylphenyl)prop-2-en-1-amine

1-(2,4,6-trimethylphenyl)prop-2-en-1-amine (PubChem CID 55282598) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
PubChem CID55282598
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
SMILESC=CC(N)c1c(C)cc(C)cc1C
InChIInChI=1S/C12H17N/c1-5-11(13)12-9(3)6-8(2)7-10(12)4/h5-7,11H,1,13H2,2-4H3
InChIKeyTXTKLDBILFKUKK-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 116939016
2-(1-aminoprop-2-enyl)-4,6-dimethylaniline
CID 55282340
1-(4-methylthiophen-2-yl)prop-2-en-1-amine
CID 55294447
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride
CID 171225337
chloro-(2,4,6-trimethylphenyl)methanamine
CID 116947745
2-(2,4,6-trimethylphenyl)but-3-en-1-ol
CID 130129687
2-[(1S)-1-aminoprop-2-enyl]-3-methylaniline
CID 130671812
(1R)-1-(3-bromo-5-methylphenyl)prop-2-en-1-amine
CID 130663763
(1R)-1-(4-methylfuran-2-yl)prop-2-en-1-amine
CID 130713927
(1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine
CID 55274809
2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine
CID 79298168

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)prop-2-en-1-amine?
The IUPAC name of 1-(2,4,6-trimethylphenyl)prop-2-en-1-amine (CID 55282598) is 1-(2,4,6-trimethylphenyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)prop-2-en-1-amine?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)prop-2-en-1-amine is C=CC(N)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)prop-2-en-1-amine?
The InChIKey is TXTKLDBILFKUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-5-11(13)12-9(3)6-8(2)7-10(12)4/h5-7,11H,1,13H2,2-4H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)prop-2-en-1-amine?
1-(2,4,6-trimethylphenyl)prop-2-en-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 55282598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).