Chemical ID: 5157360

CCOC(=O)c1ccc(cc1)NCC(C)(C)N
Chemical ID:
5157360
Name [?]:
ethyl 4-(2-amino-2-methyl-propyl)aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NCC(C)(C)N
InChi [?]:
InChI=1/C13H20N2O2/c1-4-17-12(16)10-5-7-11(8-6-10)15-9-13(2,3)14/h5-8,15H,4,9,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,16,2,7,11,8,10,13,6,9,4,14,17,12,5,3/E:(2,3)(5,6)(7,8)/rA:17nCCOCOCCCCCCNCCCCN/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.24366
Area:454.307
Solvation:-2.11402
Coulombic:-44.3283
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:236.31
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.13
LogP (Chemaxon):1.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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