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Chemical ID: 5640682
Chemical ID:
5640682
Name [?]:
2-(2,5-dimethylphenyl)amino-1-phenyl-ethanol
SMILES [?]:
Cc1ccc(c(c1)NCC(c2ccccc2)O)C
InChi [?]:
InChI=1/C16H19NO/c1-12-8-9-13(2)15(10-12)17-11-16(18)14-6-4-3-5-7-14/h3-10,16-18H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,14,13,15,12,16,3,4,7,9,2,5,11,6,10,8,17/E:(4,5)(6,7)/rA:18cCCCCCCCNCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s10;s5;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.95353 |
Area: | 454.385 |
Solvation: | -2.40609 |
Coulombic: | -31.3137 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.328 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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