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Chemical ID: 5832463

Chemical ID:

5832463

Name [?]:

5-diethylamino-2-(tetrahydrofuran-2-ylmethylaminomethyl)phenol

SMILES [?]:

CCN(CC)c1ccc(c(c1)O)CNCC2CCCO2

InChi [?]:

InChI=1/C16H26N2O2/c1-3-18(4-2)14-8-7-13(16(19)10-14)11-17-12-15-6-5-9-20-15/h7-8,10,15,17,19H,3-6,9,11-12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,18,17,8,7,19,11,13,15,9,6,16,10,14,3,12,20/E:(1,2)(3,4)/rA:20cCCNCCCCCCCCOCNCCCCCO/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s10;s9;s13;s14;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₆N₂O₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	8.43413
Area:	507.594
Solvation:	-4.25573
Coulombic:	-38.5796

Bond Count [?]

All:	21
Single:	18
Double:	3
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	278.39
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.54
LogP (Chemaxon):	2.25

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