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Chemical ID: 6637933

Chemical ID:

6637933

Name [?]:

4-ethoxy-N-[1-(4-ethoxyphenyl)iminoethyl]aniline

SMILES [?]:

CCOc1ccc(cc1)NC(=Nc2ccc(cc2)OCC)C

InChi [?]:

InChI=1/C18H22N2O2/c1-4-21-17-10-6-15(7-11-17)19-14(3)20-16-8-12-18(13-9-16)22-5-2/h6-13H,4-5H2,1-3H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,21,22,2,20,6,8,14,18,5,9,15,17,11,7,13,4,16,10,12,3,19/E:(1,2)(4,5)(6,7,8,9)(10,11,12,13)(15,16)(17,18)(19,20)(21,22)/rA:22nCCOCCCCCCNCNCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂N₂O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.30146
Area:	528.169
Solvation:	-3.90275
Coulombic:	-31.1973

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	7
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	298.38
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.87
LogP (Chemaxon):	4.08

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value