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Chemical ID: 4978724

Chemical ID:

4978724

Name [?]:

1-(4-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)-ethanol

SMILES [?]:

CC1CN(CC(O1)C)CC(c2ccc(cc2)Br)O

InChi [?]:

InChI=1/C14H20BrNO2/c1-10-7-16(8-11(2)18-10)9-14(17)12-3-5-13(15)6-4-12/h3-6,10-11,14,17H,7-9H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,8,12,16,13,15,3,5,9,2,6,11,14,10,17,4,18,7/E:(1,2)(3,4)(5,6)(7,8)(10,11)/rA:18cCCCNCCOCCCCCCCCCBrO/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;s9;s10;s11;d12;s13;d14;d11s15;s14;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₀BrNO₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	3

ZAP Information [?]

Total:	7.61679
Area:	465.369
Solvation:	-4.01744
Coulombic:	-30.9213

Bond Count [?]

All:	19
Single:	16
Double:	3
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	314.218
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.48
LogP (Chemaxon):	2.84

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