(2,4,6-triethoxyphenyl)methanamine

C13H21NO3 — CID 95421482

IUPAC(2,4,6-triethoxyphenyl)methanamine
SMILESCCOc1cc(OCC)c(CN)c(OCC)c1
InChIInChI=1S/C13H21NO3/c1-4-15-10-7-12(16-5-2)11(9-14)13(8-10)17-6-3/h7-8H,4-6,9,14H2,1-3H3
InChIKeyOVPSIRDAQSCWCU-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.34
Rot. Bonds7

About (2,4,6-triethoxyphenyl)methanamine

(2,4,6-triethoxyphenyl)methanamine (PubChem CID 95421482) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (2,4,6-triethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,4,6-triethoxyphenyl)methanamine
PubChem CID95421482
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2,4,6-triethoxyphenyl)methanamine
SMILESCCOc1cc(OCC)c(CN)c(OCC)c1
InChIInChI=1S/C13H21NO3/c1-4-15-10-7-12(16-5-2)11(9-14)13(8-10)17-6-3/h7-8H,4-6,9,14H2,1-3H3
InChIKeyOVPSIRDAQSCWCU-UHFFFAOYSA-N
XLogP2.34
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diethoxyaniline
CID 22605063
(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 66517495
1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 77131156
2,4,6-triethoxybenzenesulfonic acid
CID 18740201
1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene
CID 173219206
3-ethoxy-5-methylaniline
CID 67863452
2-(aminomethyl)-4-(2,4,6-triethoxyphenyl)hexanoic acid
CID 69267992
(2,6-dichloro-3-ethoxyphenyl)methanamine
CID 130863445
2,4-diethoxybenzamide
CID 17145726
2,4-diethoxy-1-phenylbenzene
CID 132889855
(2-ethoxy-5-phenoxyphenyl)methanamine
CID 82267172
4-[4-(aminomethyl)-3,5-dimethoxyphenoxy]butanoic acid
CID 68627883

Frequently Asked Questions

What is the IUPAC name of (2,4,6-triethoxyphenyl)methanamine?
The IUPAC name of (2,4,6-triethoxyphenyl)methanamine (CID 95421482) is (2,4,6-triethoxyphenyl)methanamine.
What is the SMILES notation for (2,4,6-triethoxyphenyl)methanamine?
The canonical SMILES for (2,4,6-triethoxyphenyl)methanamine is CCOc1cc(OCC)c(CN)c(OCC)c1.
What is the InChIKey of (2,4,6-triethoxyphenyl)methanamine?
The InChIKey is OVPSIRDAQSCWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-15-10-7-12(16-5-2)11(9-14)13(8-10)17-6-3/h7-8H,4-6,9,14H2,1-3H3.
What are the key properties of (2,4,6-triethoxyphenyl)methanamine?
(2,4,6-triethoxyphenyl)methanamine has a molecular weight of 239.31 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-triethoxyphenyl)methanamine is sourced from PubChem (CID 95421482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).