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Chemical ID: 3965837

Chemical ID:

3965837

Name [?]:

2-[(4-chlorophenyl)-(2-pyridyl)methoxy]-N,N-dimethyl-ethanamine

SMILES [?]:

CN(C)CCOC(c1ccc(cc1)Cl)c2ccccn2

InChi [?]:

InChI=1/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,17,18,16,9,13,10,12,19,4,5,8,11,15,7,14,20,2,6/E:(1,2)(6,7)(8,9)/rA:20cCNCCCOCCCCCCCClCCCCCN/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s7;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₉ClN₂O
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	8.21242
Area:	501.65
Solvation:	-4.32882
Coulombic:	-19.2564

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	290.788
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.62
LogP (Chemaxon):	3.1

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