N-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene

C22H33NO2 — CID 70442354

IUPACN-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene
SMILESCCNCC.COc1ccccc1C(c1ccccc1OC)C(C)C
InChIInChI=1S/C18H22O2.C4H11N/c1-13(2)18(14-9-5-7-11-16(14)19-3)15-10-6-8-12-17(15)20-4;1-3-5-4-2/h5-13,18H,1-4H3;5H,3-4H2,1-2H3
InChIKeyHOJQDVDWTZOJOD-UHFFFAOYSA-N
MW343.51 g/mol
LogP5.11
Rot. Bonds7

About N-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene

N-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene (PubChem CID 70442354) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is N-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene.

Molecular Properties

Compound NameN-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene
PubChem CID70442354
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC NameN-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene
SMILESCCNCC.COc1ccccc1C(c1ccccc1OC)C(C)C
InChIInChI=1S/C18H22O2.C4H11N/c1-13(2)18(14-9-5-7-11-16(14)19-3)15-10-6-8-12-17(15)20-4;1-3-5-4-2/h5-13,18H,1-4H3;5H,3-4H2,1-2H3
InChIKeyHOJQDVDWTZOJOD-UHFFFAOYSA-N
XLogP5.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 62834607
N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
1-[(2S,3R)-3-deuteriobutan-2-yl]-2-methoxybenzene
CID 102007298
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpropanamide
CID 62853456
N-ethyl-3-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 82811514
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene?
The IUPAC name of N-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene (CID 70442354) is N-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene.
What is the SMILES notation for N-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene?
The canonical SMILES for N-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene is CCNCC.COc1ccccc1C(c1ccccc1OC)C(C)C.
What is the InChIKey of N-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene?
The InChIKey is HOJQDVDWTZOJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2.C4H11N/c1-13(2)18(14-9-5-7-11-16(14)19-3)15-10-6-8-12-17(15)20-4;1-3-5-4-2/h5-13,18H,1-4H3;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene?
N-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene has a molecular weight of 343.51 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;1-methoxy-2-[1-(2-methoxyphenyl)-2-methylpropyl]benzene is sourced from PubChem (CID 70442354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).