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Chemical ID: 7244349

Chemical ID:

7244349

Name [?]:

N,N-diethyl-N'-(2-thienylmethyl)benzene-1,4-diamine

SMILES [?]:

CCN(CC)c1ccc(cc1)NCc2cccs2

InChi [?]:

InChI=1/C15H20N2S/c1-3-17(4-2)14-9-7-13(8-10-14)16-12-15-6-5-11-18-15/h5-11,16H,3-4,12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,16,15,8,10,7,11,17,13,9,6,14,12,3,18/E:(1,2)(3,4)(7,8)(9,10)/rA:18nCCNCCCCCCCCNCCCCCS/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₀N₂S
All Atoms:	38
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3412
Area:	480.165
Solvation:	-1.66294
Coulombic:	-19.9375

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	260.399
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.49
LogP (Chemaxon):	3.76

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