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Chemical ID: 7374418

Chemical ID:

7374418

Name [?]:

1-(4-ethoxyphenoxy)-3-[(1-ethylpyrrolidin-2-yl)methylamino]propan-2-ol

SMILES [?]:

CCN1CCCC1CNCC(COc2ccc(cc2)OCC)O

InChi [?]:

InChI=1/C18H30N2O3/c1-3-20-11-5-6-15(20)12-19-13-16(21)14-23-18-9-7-17(8-10-18)22-4-2/h7-10,15-16,19,21H,3-6,11-14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,2,21,5,6,16,18,15,19,4,8,10,12,7,11,17,14,9,3,23,20,13/E:(7,8)(9,10)/rA:23cCCNCCCCCNCCCOCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₃₀N₂O₃
All Atoms:	53
Heavy Atoms:	23
Chiral Atoms:	3

ZAP Information [?]

Total:	8.28568
Area:	574.981
Solvation:	-6.08884
Coulombic:	-44.3273

Bond Count [?]

All:	24
Single:	21
Double:	3
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	322.442
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.04
LogP (Chemaxon):	1.85

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value