2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine

C16H27NO3 — CID 165107263

IUPAC2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine
SMILESCCOC(CN(C)[C@H](C)c1ccc(OC)cc1)OCC
InChIInChI=1S/C16H27NO3/c1-6-19-16(20-7-2)12-17(4)13(3)14-8-10-15(18-5)11-9-14/h8-11,13,16H,6-7,12H2,1-5H3/t13-/m1/s1
InChIKeyJYIMILCKHURDDR-CYBMUJFWSA-N
MW281.40 g/mol
LogP3.09
Rot. Bonds9

About 2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine

2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine (PubChem CID 165107263) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine
PubChem CID165107263
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine
SMILESCCOC(CN(C)[C@H](C)c1ccc(OC)cc1)OCC
InChIInChI=1S/C16H27NO3/c1-6-19-16(20-7-2)12-17(4)13(3)14-8-10-15(18-5)11-9-14/h8-11,13,16H,6-7,12H2,1-5H3/t13-/m1/s1
InChIKeyJYIMILCKHURDDR-CYBMUJFWSA-N
XLogP3.09
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65071757
1-(4-methoxyphenyl)-N-methyl-N-(trimethylsilylmethyl)ethanamine
CID 15113037
3-(iodomethyl)-4-[1-(4-methoxyphenyl)ethyl-methylamino]butanal
CID 144923013
2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde
CID 165107258
1-(4-methoxyphenyl)-N'-methyl-N'-pentan-2-ylethane-1,2-diamine
CID 43572006
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 50969326
1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16782629
N,N-bis(2-chloroethyl)-1-(4-methoxyphenyl)ethanamine
CID 18416854
N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine
CID 7108155
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 119704697
N-[2-ethoxy-2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 62108347
(1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 95120184

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine?
The IUPAC name of 2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine (CID 165107263) is 2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine?
The canonical SMILES for 2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine is CCOC(CN(C)[C@H](C)c1ccc(OC)cc1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine?
The InChIKey is JYIMILCKHURDDR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-19-16(20-7-2)12-17(4)13(3)14-8-10-15(18-5)11-9-14/h8-11,13,16H,6-7,12H2,1-5H3/t13-/m1/s1.
What are the key properties of 2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine?
2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methylethanamine is sourced from PubChem (CID 165107263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).