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

C12H17NO3 — CID 103067007

IUPAC2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CN)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C12H17NO3/c1-9(7-13)8-16-12-5-10(14-2)4-11(6-12)15-3/h4-6H,1,7-8,13H2,2-3H3
InChIKeyLPUQTHBDOUFJFU-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.60
Rot. Bonds6

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

2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine (PubChem CID 103067007) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine
PubChem CID103067007
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CN)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C12H17NO3/c1-9(7-13)8-16-12-5-10(14-2)4-11(6-12)15-3/h4-6H,1,7-8,13H2,2-3H3
InChIKeyLPUQTHBDOUFJFU-UHFFFAOYSA-N
XLogP1.60
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3,5-dimethoxyphenoxy)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

Related Compounds

2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine
CID 103067211
2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103067008
3-methoxy-5-(2-methylidenebutoxy)benzonitrile
CID 103567099
1-(3,5-dimethoxyphenoxy)propan-2-one
CID 43411971
2-[(4-bromo-3-methylphenoxy)methyl]prop-2-en-1-amine
CID 103067433
1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol
CID 64812927
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445
3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
CID 144585769
1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene
CID 71416363
[3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine
CID 103566052
2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine
CID 19894370
2-(3-methoxy-5-methylphenoxy)acetic acid
CID 55264388

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine?
The IUPAC name of 2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine (CID 103067007) is 2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine is C=C(CN)COc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine?
The InChIKey is LPUQTHBDOUFJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(7-13)8-16-12-5-10(14-2)4-11(6-12)15-3/h4-6H,1,7-8,13H2,2-3H3.
What are the key properties of 2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine?
2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine has a molecular weight of 223.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103067007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).