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Chemical ID: 7106832
Chemical ID:
7106832
Name [?]:
N-[(4-methoxyphenyl)methyl]cyclopropanamine
SMILES [?]:
COc1ccc(cc1)CNC2CC2
InChi [?]:
InChI=1/C11H15NO/c1-13-11-6-2-9(3-7-11)8-12-10-4-5-10/h2-3,6-7,10,12H,4-5,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,12,13,4,8,9,6,11,3,10,2/E:(2,3)(4,5)(6,7)/rA:13nCOCCCCCCCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s11s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO |
All Atoms: | 28 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.87862 |
Area: | 370.642 |
Solvation: | -2.38743 |
Coulombic: | -16.8307 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 177.243 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.99 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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