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Chemical ID: 7296780

Chemical ID:

7296780

Name [?]:

1-benzyloxy-3-[(2,3-dichlorophenyl)methyl-methyl-amino]-propan-2-ol

SMILES [?]:

CN(Cc1cccc(c1Cl)Cl)CC(COCc2ccccc2)O

InChi [?]:

InChI=1/C18H21Cl2NO2/c1-21(10-15-8-5-9-17(19)18(15)20)11-16(22)13-23-12-14-6-3-2-4-7-14/h2-9,16,22H,10-13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,20,19,21,6,18,22,5,7,3,12,16,14,17,4,13,8,9,11,10,2,23,15/E:(3,4)(6,7)/rA:23cCNCCCCCCCClClCCCOCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s8;s2;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁Cl₂NO₂
All Atoms:	44
Heavy Atoms:	23
Chiral Atoms:	2

ZAP Information [?]

Total:	9.24844
Area:	574.184
Solvation:	-5.10616
Coulombic:	-32.4887

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	354.27
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.86
LogP (Chemaxon):	4.21

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