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Chemical ID: 7299483

Chemical ID:

7299483

Name [?]:

1-(2,6-dichlorophenoxy)-3-dipropylamino-propan-2-ol

SMILES [?]:

CCCN(CCC)CC(COc1c(cccc1Cl)Cl)O

InChi [?]:

InChI=1/C15H23Cl2NO2/c1-3-8-18(9-4-2)10-12(19)11-20-15-13(16)6-5-7-14(15)17/h5-7,12,19H,3-4,8-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,7,2,6,15,14,16,3,5,8,10,9,13,17,12,19,18,4,20,11/E:(1,2)(3,4)(6,7)(8,9)(13,14)(16,17)/rA:20cCCCNCCCCCCOCCCCCCClClO/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s13;s9;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₃Cl₂NO₂
All Atoms:	43
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	9.28397
Area:	541.393
Solvation:	-4.25085
Coulombic:	-31.3256

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	320.254
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.92
LogP (Chemaxon):	4.06

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