Chemical ID: 4177789

Cc1ccc(cc1)NCc2ccc(cc2)C(=O)OC
Chemical ID:
4177789
Name [?]:
methyl 4-(p-tolylaminomethyl)benzoate
SMILES [?]:
Cc1ccc(cc1)NCc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C16H17NO2/c1-12-3-9-15(10-4-12)17-11-13-5-7-14(8-6-13)16(18)19-2/h3-10,17H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,3,7,11,15,12,14,4,6,9,2,10,13,5,16,8,17,18/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCNCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.7791
Area:476.58
Solvation:-2.13542
Coulombic:-33.7177
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:255.312
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.75
LogP (Chemaxon):3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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