2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine

C14H21NO — CID 103066619

IUPAC2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COc1ccc(C)c(C)c1
InChIInChI=1S/C14H21NO/c1-5-15-9-11(2)10-16-14-7-6-12(3)13(4)8-14/h6-8,15H,2,5,9-10H2,1,3-4H3
InChIKeyBARTWNDFRPRQKS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.85
Rot. Bonds6

About 2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine

2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine (PubChem CID 103066619) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine
PubChem CID103066619
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COc1ccc(C)c(C)c1
InChIInChI=1S/C14H21NO/c1-5-15-9-11(2)10-16-14-7-6-12(3)13(4)8-14/h6-8,15H,2,5,9-10H2,1,3-4H3
InChIKeyBARTWNDFRPRQKS-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-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

Related Compounds

2-[(3,4-dichlorophenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103067070
N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066550
2-[(4-chloro-3-methylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066340
2-[(3-iodophenoxy)methyl]-N-propylprop-2-en-1-amine
CID 103066884
N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452521
2-[(2-tert-butyl-4-methylphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066809
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
CID 17404287
1,2-dimethyl-4-propoxybenzene
CID 23549082
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
2-[(4-bromo-3-methylphenoxy)methyl]prop-2-en-1-amine
CID 103067433
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine (CID 103066619) is 2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine is C=C(CNCC)COc1ccc(C)c(C)c1.
What is the InChIKey of 2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine?
The InChIKey is BARTWNDFRPRQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-15-9-11(2)10-16-14-7-6-12(3)13(4)8-14/h6-8,15H,2,5,9-10H2,1,3-4H3.
What are the key properties of 2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine?
2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenoxy)methyl]-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 103066619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).