Chemical ID: 4506439

CC(CCc1ccc(cc1)O)Nc2ccccc2F
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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