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Chemical ID: 7102920
Chemical ID:
7102920
Name [?]:
N-[(4-methoxyphenyl)methyl]propan-1-amine
SMILES [?]:
CCCNCc1ccc(cc1)OC
InChi [?]:
InChI=1/C11H17NO/c1-3-8-12-9-10-4-6-11(13-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,7,11,8,10,3,5,6,9,4,12/E:(4,5)(6,7)/rA:13nCCCNCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO |
All Atoms: | 30 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16624 |
Area: | 380.73 |
Solvation: | -2.35202 |
Coulombic: | -17.3855 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 179.259 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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