ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7521340

Chemical ID:

7521340

Name [?]:

1-cyclopentylamino-3-(2,5-dimethylphenoxy)-propan-2-ol

SMILES [?]:

Cc1ccc(c(c1)OCC(CNC2CCCC2)O)C

InChi [?]:

InChI=1/C16H25NO2/c1-12-7-8-13(2)16(9-12)19-11-15(18)10-17-14-5-3-4-6-14/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,15,16,14,17,3,4,7,11,9,2,5,13,10,6,12,18,8/E:(3,4)(5,6)/rA:19cCCCCCCCOCCCNCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s13s16;s10;s5;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₅NO₂
All Atoms:	44
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	8.03481
Area:	490.768
Solvation:	-4.23439
Coulombic:	-33.3674

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.8
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value