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Chemical ID: 4294748

Chemical ID:

4294748

Name [?]:

N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-propan-2-amine

SMILES [?]:

CC(C)(C)NCCCOc1ccc(cc1Cl)Cl

InChi [?]:

InChI=1/C13H19Cl2NO/c1-13(2,3)16-7-4-8-17-12-6-5-10(14)9-11(12)15/h5-6,9,16H,4,7-8H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,4,7,12,11,6,8,14,13,15,10,2,17,16,5,9/E:(1,2,3)/rA:17nCCCCNCCCOCCCCCCClCl/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₉Cl₂NO
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	9.79094
Area:	487.449
Solvation:	-2.39529
Coulombic:	-17.7802

Bond Count [?]

All:	17
Single:	14
Double:	3
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	276.202
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.45
LogP (Chemaxon):	3.33

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