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Chemical ID: 7147634

Chemical ID:

7147634

Name [?]:

1-(2,4-dichlorophenoxy)-3-(4-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)-propan-2-ol

SMILES [?]:

CC1CC[NH+](CC1)CC(COc2ccc(cc2Cl)Cl)O

InChi [?]:

InChI=1/C15H21Cl2NO2/c1-11-4-6-18(7-5-11)9-13(19)10-20-15-3-2-12(16)8-14(15)17/h2-3,8,11,13,19H,4-7,9-10H2,1H3/p+1

InChi Info:

AuxInfo=1/1/N:1,14,13,3,7,4,6,16,8,10,2,15,9,17,12,19,18,5,20,11/E:(4,5)(6,7)/rA:20cCCCCN+CCCCCOCCCCCCClClO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s9;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₂Cl₂NO₂₊
All Atoms:	42
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	-20.4953
Area:	527.017
Solvation:	-33.6707
Coulombic:	5.26102

Bond Count [?]

All:	21
Single:	18
Double:	3
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	319.246
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.73
LogP (Chemaxon):	3.49

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