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Chemical ID: 7102222
Chemical ID:
7102222
Name [?]:
N-[(4-ethoxyphenyl)methyl]-2-methyl-propan-1-amine
SMILES [?]:
CCOc1ccc(cc1)CNCC(C)C
InChi [?]:
InChI=1/C13H21NO/c1-4-15-13-7-5-12(6-8-13)10-14-9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,15,2,6,8,5,9,12,10,13,7,4,11,3/E:(2,3)(5,6)(7,8)/rA:15nCCOCCCCCCCNCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO |
All Atoms: | 36 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.41767 |
Area: | 427.264 |
Solvation: | -2.26394 |
Coulombic: | -17.8994 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 207.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.95 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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