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Chemical ID: 6131963
Chemical ID:
6131963
Name [?]:
2-(2-methoxyphenyl)aniline
SMILES [?]:
COc1ccccc1c2ccccc2N
InChi [?]:
InChI=1/C13H13NO/c1-15-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14/h2-9H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,6,12,5,10,7,13,4,9,8,14,3,15,2/rA:15nCOCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.6265 |
Area: | 367.051 |
Solvation: | -2.54976 |
Coulombic: | -25.7244 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 199.248 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.06 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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