Chemical ID: 4179941

CCNCC(COc1ccccc1)O
Chemical ID:
4179941
Name [?]:
1-ethylamino-3-phenoxy-propan-2-ol
SMILES [?]:
CCNCC(COc1ccccc1)O
InChi [?]:
InChI=1/C11H17NO2/c1-2-12-8-10(13)9-14-11-6-4-3-5-7-11/h3-7,10,12-13H,2,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,9,13,4,6,5,8,3,14,7/E:(4,5)(6,7)/rA:14cCCNCCCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s5;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.66243
Area:400.15
Solvation:-4.34133
Coulombic:-33.1658
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:195.258
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.3
LogP (Chemaxon):1.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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