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Chemical ID: 7261668

Chemical ID:

7261668

Name [?]:

1-(2-isopropylphenoxy)-3-(2-phenylpropylamino)propan-2-ol

SMILES [?]:

CC(C)c1ccccc1OCC(CNCC(C)c2ccccc2)O

InChi [?]:

InChI=1/C21H29NO2/c1-16(2)20-11-7-8-12-21(20)24-15-19(23)14-22-13-17(3)18-9-5-4-6-10-18/h4-12,16-17,19,22-23H,13-15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,17,21,20,22,6,7,19,23,5,8,15,13,11,2,16,18,12,4,9,14,24,10/E:(1,2)(5,6)(9,10)/rA:24cCCCCCCCCCOCCCNCCCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s16;s18;d19;s20;d21;d18s22;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₉NO₂
All Atoms:	53
Heavy Atoms:	24
Chiral Atoms:	2

ZAP Information [?]

Total:	10.2148
Area:	591.859
Solvation:	-4.58165
Coulombic:	-35.9639

Bond Count [?]

All:	25
Single:	19
Double:	6
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	327.461
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	4.23
LogP (Chemaxon):	4.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value