5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline

C14H22N2O2 — CID 103339303

IUPAC5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline
SMILESC=CCN(CCOC)Cc1ccc(OC)cc1N
InChIInChI=1S/C14H22N2O2/c1-4-7-16(8-9-17-2)11-12-5-6-13(18-3)10-14(12)15/h4-6,10H,1,7-9,11,15H2,2-3H3
InChIKeyCCMCJQJCIJFIGR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.91
Rot. Bonds8

About 5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline

5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline (PubChem CID 103339303) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline.

Molecular Properties

Compound Name5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline
PubChem CID103339303
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline
SMILESC=CCN(CCOC)Cc1ccc(OC)cc1N
InChIInChI=1S/C14H22N2O2/c1-4-7-16(8-9-17-2)11-12-5-6-13(18-3)10-14(12)15/h4-6,10H,1,7-9,11,15H2,2-3H3
InChIKeyCCMCJQJCIJFIGR-UHFFFAOYSA-N
XLogP1.91
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline
CID 103339483
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340392
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline
CID 115413853
2-[(2-chloro-4-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 111824360
5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
CID 82978309
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340393
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-chloroethyl)-2-methoxyethanamine
CID 113468132
5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline
CID 64770363
5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline
CID 113305237
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340228

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline?
The IUPAC name of 5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline (CID 103339303) is 5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline.
What is the SMILES notation for 5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline?
The canonical SMILES for 5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline is C=CCN(CCOC)Cc1ccc(OC)cc1N.
What is the InChIKey of 5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline?
The InChIKey is CCMCJQJCIJFIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-7-16(8-9-17-2)11-12-5-6-13(18-3)10-14(12)15/h4-6,10H,1,7-9,11,15H2,2-3H3.
What are the key properties of 5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline?
5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline has a molecular weight of 250.34 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline is sourced from PubChem (CID 103339303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).