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Chemical ID: 4977193

Chemical ID:

4977193

Name [?]:

3-diethylamino-2-methyl-1,1-diphenyl-propan-1-ol

SMILES [?]:

CCN(CC)CC(C)C(c1ccccc1)(c2ccccc2)O

InChi [?]:

InChI=1/C20H27NO/c1-4-21(5-2)16-17(3)20(22,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,22H,4-5,16H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,5,8,2,4,13,19,12,14,18,20,11,15,17,21,6,7,10,16,9,3,22/E:(1,2)(4,5)(6,7)(8,9,10,11)(12,13,14,15)(18,19)/rA:22cCCNCCCCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s7;s9;s10;d11;s12;d13;d10s14;s9;s16;d17;s18;d19;d16s20;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₇NO
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	10.6226
Area:	507.763
Solvation:	-2.07144
Coulombic:	-26.9025

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	297.435
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.23
LogP (Chemaxon):	4.33

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