2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine

C27H33NO5 — CID 59913022

IUPAC2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1ccc(C(NCCc2ccc(OC)c(OC)c2)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C27H33NO5/c1-6-33-21-10-8-20(9-11-21)27(23-13-12-22(29-2)18-25(23)31-4)28-16-15-19-7-14-24(30-3)26(17-19)32-5/h7-14,17-18,27-28H,6,15-16H2,1-5H3
InChIKeyYNOCLAMDDTVPMC-UHFFFAOYSA-N
MW451.56 g/mol
LogP5.04
Rot. Bonds12

About 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine

2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine (PubChem CID 59913022) has the molecular formula C27H33NO5 and a molecular weight of 451.56 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine
PubChem CID59913022
Molecular FormulaC27H33NO5
Molecular Weight451.56 g/mol
Exact Mass451.24
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1ccc(C(NCCc2ccc(OC)c(OC)c2)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C27H33NO5/c1-6-33-21-10-8-20(9-11-21)27(23-13-12-22(29-2)18-25(23)31-4)28-16-15-19-7-14-24(30-3)26(17-19)32-5/h7-14,17-18,27-28H,6,15-16H2,1-5H3
InChIKeyYNOCLAMDDTVPMC-UHFFFAOYSA-N
XLogP5.04
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine with MolForge

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9372222
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-iodo-5-methoxyphenyl)propan-2-amine
CID 129362720
N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43496041
2-(3,4-dimethoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 17410141
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111170026
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea
CID 19675863
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956
4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene
CID 61082919
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine (CID 59913022) is 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine is CCOc1ccc(C(NCCc2ccc(OC)c(OC)c2)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine?
The InChIKey is YNOCLAMDDTVPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO5/c1-6-33-21-10-8-20(9-11-21)27(23-13-12-22(29-2)18-25(23)31-4)28-16-15-19-7-14-24(30-3)26(17-19)32-5/h7-14,17-18,27-28H,6,15-16H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine?
2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine has a molecular weight of 451.56 g/mol, XLogP of 5.04, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 59913022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).