Chemical ID: 4505995

CN(C)CCN(C)Cc1ccc(cc1)O
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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