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Chemical ID: 7087155
Chemical ID:
7087155
Name [?]:
tert-butyl [4-[4-(aminomethyl)phenyl]phenyl]aminoformate
SMILES [?]:
CC(C)(C)OC(=O)Nc1ccc(cc1)c2ccc(cc2)CN
InChi [?]:
InChI=1/C18H22N2O2/c1-18(2,3)22-17(21)20-16-10-8-15(9-11-16)14-6-4-13(12-19)5-7-14/h4-11H,12,19H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,19,16,20,11,13,10,14,21,18,15,12,9,6,2,22,8,7,5/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:22nCCCCOCONCCCCCCCCCCCCCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O2 |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8277 |
Area: | 520.94 |
Solvation: | -2.1958 |
Coulombic: | -47.6397 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 298.38 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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