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Chemical ID: 7517645

Chemical ID:

7517645

Name [?]:

2-[(4-cyclopentoxy-3-methoxy-phenyl)methylamino]ethanol

SMILES [?]:

COc1cc(ccc1OC2CCCC2)CNCCO

InChi [?]:

InChI=1/C15H23NO3/c1-18-15-10-12(11-16-8-9-17)6-7-14(15)19-13-4-2-3-5-13/h6-7,10,13,16-17H,2-5,8-9,11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,12,13,11,14,6,7,17,18,4,15,5,10,8,3,16,19,2,9/E:(2,3)(4,5)/rA:19nCOCCCCCCOCCCCCCNCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s10s13;s5;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₃NO₃
All Atoms:	42
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	6.06806
Area:	483.94
Solvation:	-6.03044
Coulombic:	-39.6336

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.65
LogP (Chemaxon):	None

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