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Chemical ID: 7107888

Chemical ID:

7107888

Name [?]:

2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol

SMILES [?]:

CCC(CO)NCc1ccc(c(c1)OCC)OCC

InChi [?]:

InChI=1/C15H25NO3/c1-4-13(11-17)16-10-12-7-8-14(18-5-2)15(9-12)19-6-3/h7-9,13,16-17H,4-6,10-11H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,19,16,2,18,15,9,10,13,7,4,8,3,11,12,6,5,17,14/rA:19cCCCCONCCCCCCCOCCOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;s11;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₅NO₃
All Atoms:	44
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	6.60587
Area:	504.675
Solvation:	-6.011
Coulombic:	-39.7335

Bond Count [?]

All:	19
Single:	16
Double:	3
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	267.364
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.05
LogP (Chemaxon):	2.19

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