Chemical ID: 5788071

CCN(CC)Cc1cc(ccc1O)N
Chemical ID:
5788071
Name [?]:
4-amino-2-(diethylaminomethyl)phenol
SMILES [?]:
CCN(CC)Cc1cc(ccc1O)N
InChi [?]:
InChI=1/C11H18N2O/c1-3-13(4-2)8-9-7-10(12)5-6-11(9)14/h5-7,14H,3-4,8,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,11,8,6,7,9,12,14,3,13/E:(1,2)(3,4)/rA:14nCCNCCCCCCCCCON/rB:s1;s2;s3;s4;s3;s6;s7;d8;s9;d10;d7s11;s12;s9;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H18N2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.74822
Area:372.123
Solvation:-2.55485
Coulombic:-37.2055
Bond Count [?]
All:14
Single:11
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:194.273
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.97
LogP (Chemaxon):1.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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