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Chemical ID: 7106097

Chemical ID:

7106097

Name [?]:

2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenyl-ethanol

SMILES [?]:

c1ccc(cc1)C(CNCc2cccc(c2)OCc3ccccc3Cl)O

InChi [?]:

InChI=1/C22H22ClNO2/c23-21-12-5-4-10-19(21)16-26-20-11-6-7-17(13-20)14-24-15-22(25)18-8-2-1-3-9-18/h1-13,22,24-25H,14-16H2

InChi Info:

AuxInfo=1/0/N:1,2,6,21,22,13,12,3,5,20,14,23,16,10,8,18,11,4,19,15,24,7,25,9,26,17/E:(2,3)(8,9)/rA:26cCCCCCCCCNCCCCCCCOCCCCCCCClO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂ClNO₂
All Atoms:	48
Heavy Atoms:	26
Chiral Atoms:	1

ZAP Information [?]

Total:	11.4617
Area:	621.097
Solvation:	-4.06569
Coulombic:	-37.7022

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	367.868
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	4.88
LogP (Chemaxon):	5.02

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