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Chemical ID: 5163866

Chemical ID:

5163866

Name [?]:

1-morpholino-3-(p-tolylamino)propan-2-ol

SMILES [?]:

Cc1ccc(cc1)NCC(CN2CCOCC2)O

InChi [?]:

InChI=1/C14H22N2O2/c1-12-2-4-13(5-3-12)15-10-14(17)11-16-6-8-18-9-7-16/h2-5,14-15,17H,6-11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,3,7,4,6,13,17,14,16,9,11,2,5,10,8,12,18,15/E:(2,3)(4,5)(6,7)(8,9)/rA:18cCCCCCCCNCCCNCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₂N₂O₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	1

ZAP Information [?]

Total:	7.10085
Area:	461.517
Solvation:	-4.43708
Coulombic:	-41.4663

Bond Count [?]

All:	19
Single:	16
Double:	3
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	250.337
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	0.89
LogP (Chemaxon):	1.35

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