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Chemical ID: 4506439
Chemical ID:
4506439
Name [?]:
4-[3-(2-fluorophenyl)aminobutyl]phenol
SMILES [?]:
CC(CCc1ccc(cc1)O)Nc2ccccc2F
InChi [?]:
InChI=1/C16H18FNO/c1-12(18-16-5-3-2-4-15(16)17)6-7-13-8-10-14(19)11-9-13/h2-5,8-12,18-19H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,3,4,6,10,7,9,2,5,8,18,13,19,12,11/E:(8,9)(10,11)/rA:19cCCCCCCCCCCONCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s2;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18FNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.82212 |
Area: | 464.821 |
Solvation: | -2.79841 |
Coulombic: | -34.4917 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 259.319 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.11 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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