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Chemical ID: 4414859

Chemical ID:

4414859

Name [?]:

1-[3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]pyrrolidine

SMILES [?]:

CC(C)(c1ccccc1)c2ccc(cc2)OCCCN3CCCC3

InChi [?]:

InChI=1/C22H29NO/c1-22(2,19-9-4-3-5-10-19)20-11-13-21(14-12-20)24-18-8-17-23-15-6-7-16-23/h3-5,9-14H,6-8,15-18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,7,6,8,22,23,18,5,9,11,15,12,14,21,24,19,17,4,10,13,2,20,16/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)(15,16)/rA:24nCCCCCCCCCCCCCCCOCCCNCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s2;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₉NO
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3822
Area:	564.245
Solvation:	-2.72393
Coulombic:	-15.9605

Bond Count [?]

All:	26
Single:	20
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	323.472
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.97
LogP (Chemaxon):	5.28

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