ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7509215

Chemical ID:

7509215

Name [?]:

3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-aniline

SMILES [?]:

Cc1c(cccc1Cl)NCc2cccc(c2OC)OC

InChi [?]:

InChI=1/C16H18ClNO2/c1-11-13(17)7-5-8-14(11)18-10-12-6-4-9-15(19-2)16(12)20-3/h4-9,18H,10H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,18,13,5,12,6,4,14,10,2,11,7,3,15,16,8,9,19,17/rA:20nCCCCCCCClNCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s15;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₈ClNO₂
All Atoms:	38
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	8.05368
Area:	478.057
Solvation:	-3.89774
Coulombic:	-28.5233

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.79
LogP (Chemaxon):	None

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value