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Chemical ID: 7104332

Chemical ID:

7104332

Name [?]:

N'-[(3-chloro-4,5-dimethoxy-phenyl)methyl]-N,N-dimethyl-propane-1,3-diamine

SMILES [?]:

CN(C)CCCNCc1cc(c(c(c1)Cl)OC)OC

InChi [?]:

InChI=1/C14H23ClN2O2/c1-17(2)7-5-6-16-10-11-8-12(15)14(19-4)13(9-11)18-3/h8-9,16H,5-7,10H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,3,19,17,5,6,4,14,10,8,9,13,11,12,15,7,2,18,16/E:(1,2)/rA:19nCNCCCCNCCCCCCCClOCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s12;s16;s11;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₃ClN₂O₂
All Atoms:	42
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.37244
Area:	513.482
Solvation:	-4.4646
Coulombic:	-28.9463

Bond Count [?]

All:	19
Single:	16
Double:	3
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	286.797
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.93
LogP (Chemaxon):	1.62

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