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Chemical ID: 4996475

Chemical ID:

4996475

Name [?]:

2-[(4-chlorophenyl)methyl-[(4-diethylaminophenyl)methyl]amino]ethanol

SMILES [?]:

CCN(CC)c1ccc(cc1)CN(CCO)Cc2ccc(cc2)Cl

InChi [?]:

InChI=1/C20H27ClN2O/c1-3-23(4-2)20-11-7-18(8-12-20)16-22(13-14-24)15-17-5-9-19(21)10-6-17/h5-12,24H,3-4,13-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,19,23,8,10,20,22,7,11,14,15,17,12,18,9,21,6,24,13,3,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:24cCCNCCCCCCCCCNCCOCCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;s13;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₇ClN₂O
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	11.7263
Area:	586.334
Solvation:	-2.93203
Coulombic:	-30.8514

Bond Count [?]

All:	25
Single:	19
Double:	6
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	346.894
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.45
LogP (Chemaxon):	4.73

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