2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine

C14H21NO2 — CID 888309

IUPAC2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
SMILESC/C=C/c1ccc(OCCN(C)C)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-5-6-12-7-8-13(14(11-12)16-4)17-10-9-15(2)3/h5-8,11H,9-10H2,1-4H3/b6-5+
InChIKeyLVTSHDUJUWLXHQ-AATRIKPKSA-N
MW235.33 g/mol
LogP2.67
Rot. Bonds6

About 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 888309) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
PubChem CID888309
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
SMILESC/C=C/c1ccc(OCCN(C)C)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-5-6-12-7-8-13(14(11-12)16-4)17-10-9-15(2)3/h5-8,11H,9-10H2,1-4H3/b6-5+
InChIKeyLVTSHDUJUWLXHQ-AATRIKPKSA-N
XLogP2.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine 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-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine
CID 2934924
1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2292081
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
CID 20833717
2-[4-[(2R,3S)-3,7-dimethoxy-3-methyl-5-prop-1-enyl-2H-1-benzofuran-2-yl]-2-methoxyphenoxy]-N,N-dimethylethanamine
CID 70574040
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
CID 76946846
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 76946730
1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2285613
[(2S)-butan-2-yl]-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
CID 2184410
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine
CID 76946866
1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(2-methoxy-4-prop-1-enylphenoxy)propan-2-ol
CID 55436564

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine (CID 888309) is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine is C/C=C/c1ccc(OCCN(C)C)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is LVTSHDUJUWLXHQ-AATRIKPKSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-6-12-7-8-13(14(11-12)16-4)17-10-9-15(2)3/h5-8,11H,9-10H2,1-4H3/b6-5+.
What are the key properties of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine?
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 888309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).