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Chemical ID: 7102313
Chemical ID:
7102313
Name [?]:
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine
SMILES [?]:
CCC(C)NCc1ccccc1OCc2ccc(cc2)F
InChi [?]:
InChI=1/C18H22FNO/c1-3-14(2)20-12-16-6-4-5-7-18(16)21-13-15-8-10-17(19)11-9-15/h4-11,14,20H,3,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,9,10,8,11,16,20,17,19,6,14,3,15,7,18,12,21,5,13/E:(8,9)(10,11)/rA:21cCCCCNCCCCCCCOCCCCCCCF/rB:s1;s2;s3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22FNO |
All Atoms: | 43 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.03013 |
Area: | 504.866 |
Solvation: | -3.59152 |
Coulombic: | -22.4587 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 287.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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