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Chemical ID: 4505995
Chemical ID:
4505995
Name [?]:
4-[(2-dimethylaminoethyl-methyl-amino)methyl]phenol
SMILES [?]:
CN(C)CCN(C)Cc1ccc(cc1)O
InChi [?]:
InChI=1/C12H20N2O/c1-13(2)8-9-14(3)10-11-4-6-12(15)7-5-11/h4-7,15H,8-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,7,10,14,11,13,4,5,8,9,12,2,6,15/E:(1,2)(4,5)(6,7)/rA:15cCNCCCNCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s6;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.86344 |
Area: | 412.844 |
Solvation: | -2.45766 |
Coulombic: | -26.8944 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 208.3 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.22 |
LogP (Chemaxon): | 1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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