N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine

C14H21NO — CID 103066856

IUPACN-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CNC)COc1cc(C)cc(C)c1C
InChIInChI=1S/C14H21NO/c1-10-6-12(3)13(4)14(7-10)16-9-11(2)8-15-5/h6-7,15H,2,8-9H2,1,3-5H3
InChIKeyNTVJRHKZGCGWFN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.77
Rot. Bonds5

About N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine

N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine (PubChem CID 103066856) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine
PubChem CID103066856
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CNC)COc1cc(C)cc(C)c1C
InChIInChI=1S/C14H21NO/c1-10-6-12(3)13(4)14(7-10)16-9-11(2)8-15-5/h6-7,15H,2,8-9H2,1,3-5H3
InChIKeyNTVJRHKZGCGWFN-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine (CID 103066856) is N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine is C=C(CNC)COc1cc(C)cc(C)c1C.
What is the InChIKey of N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine?
The InChIKey is NTVJRHKZGCGWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-6-12(3)13(4)14(7-10)16-9-11(2)8-15-5/h6-7,15H,2,8-9H2,1,3-5H3.
What are the key properties of N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine?
N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2,3,5-trimethylphenoxy)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103066856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).