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Chemical ID: 4121964
Chemical ID:
4121964
Name [?]:
N-benzyl-1-(4-tert-butylphenyl)-methanamine
SMILES [?]:
CC(C)(C)c1ccc(cc1)CNCc2ccccc2
InChi [?]:
InChI=1/C18H23N/c1-18(2,3)17-11-9-16(10-12-17)14-19-13-15-7-5-4-6-8-15/h4-12,19H,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,16,18,15,19,7,9,6,10,13,11,14,8,5,2,12/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:19nCCCCCCCCCCCNCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6081 |
Area: | 483.773 |
Solvation: | -1.48619 |
Coulombic: | -12.8998 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 253.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.06 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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