Chemical ID: 6620672

Cc1ccc2ccccc2c1NCCC(=O)OC
Chemical ID:
6620672
Name [?]:
methyl 3-[(2-methyl-1-naphthyl)amino]propanoate
SMILES [?]:
Cc1ccc2ccccc2c1NCCC(=O)OC
InChi [?]:
InChI=1/C15H17NO2/c1-11-7-8-12-5-3-4-6-13(12)15(11)16-10-9-14(17)18-2/h3-8,16H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,7,8,6,9,3,4,14,13,2,5,10,15,11,12,16,17/rA:18nCCCCCCCCCCCNCCCOOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s11;s12;s13;s14;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.71652
Area:443.145
Solvation:-2.3621
Coulombic:-30.8971
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:243.301
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.45
LogP (Chemaxon):2.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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