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Chemical ID: 5079150

Chemical ID:

5079150

Name [?]:

4-chloro-N-ethyl-N-[1-(4-methoxyphenyl)propyl]aniline

SMILES [?]:

CCC(c1ccc(cc1)OC)N(CC)c2ccc(cc2)Cl

InChi [?]:

InChI=1/C18H22ClNO/c1-4-18(14-6-12-17(21-3)13-7-14)20(5-2)16-10-8-15(19)9-11-16/h6-13,18H,4-5H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,14,11,2,13,5,9,17,19,16,20,6,8,4,18,15,7,3,21,12,10/E:(6,7)(8,9)(10,11)(12,13)/rA:21cCCCCCCCCCOCNCCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s3;s12;s13;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂ClNO
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	2

ZAP Information [?]

Total:	10.0316
Area:	500.989
Solvation:	-2.49318
Coulombic:	-16.8068

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	303.826
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.78
LogP (Chemaxon):	5.58

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value