2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine

C16H27NO4 — CID 114941178

IUPAC2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
SMILESCCOC(C)(C)CNCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H27NO4/c1-7-21-16(2,3)11-17-10-12-8-9-13(18-4)15(20-6)14(12)19-5/h8-9,17H,7,10-11H2,1-6H3
InChIKeyWKRUUYRDQCPSDW-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.62
Rot. Bonds9

About 2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine

2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine (PubChem CID 114941178) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
PubChem CID114941178
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
SMILESCCOC(C)(C)CNCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H27NO4/c1-7-21-16(2,3)11-17-10-12-8-9-13(18-4)15(20-6)14(12)19-5/h8-9,17H,7,10-11H2,1-6H3
InChIKeyWKRUUYRDQCPSDW-UHFFFAOYSA-N
XLogP2.62
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
CID 103708140
2,2,3-trimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine
CID 102610003
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
N-[(3-chloro-4-methoxyphenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941226
2-[(2,3,4-trimethoxyphenyl)methylamino]acetonitrile
CID 139371375
2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4719122
1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47008110
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 52526472
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63626938
N-[(2,3,4-trimethoxyphenyl)methyl]but-2-yn-1-amine
CID 115866344
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine;hydrochloride
CID 47052559
N,N-dimethyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43214462

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine (CID 114941178) is 2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine is CCOC(C)(C)CNCc1ccc(OC)c(OC)c1OC.
What is the InChIKey of 2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is WKRUUYRDQCPSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-7-21-16(2,3)11-17-10-12-8-9-13(18-4)15(20-6)14(12)19-5/h8-9,17H,7,10-11H2,1-6H3.
What are the key properties of 2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine?
2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 114941178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).