Chemical ID: 6678576

CCN(CC)Cc1c(ccc(c1O)C)C
Chemical ID:
6678576
Name [?]:
2-(diethylaminomethyl)-3,6-dimethyl-phenol
SMILES [?]:
CCN(CC)Cc1c(ccc(c1O)C)C
InChi [?]:
InChI=1/C13H21NO/c1-5-14(6-2)9-12-10(3)7-8-11(4)13(12)15/h7-8,15H,5-6,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,15,14,2,4,9,10,6,8,11,7,12,3,13/E:(1,2)(5,6)/rA:15nCCNCCCCCCCCCOCC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s9;d10;d7s11;s12;s11;s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.05667
Area:391.318
Solvation:-1.72629
Coulombic:-22.3362
Bond Count [?]
All:15
Single:12
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:207.312
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.88
LogP (Chemaxon):3.27

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Descriptor Annotations

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