Chemical ID: 4288881

CC(CCc1ccc(cc1)O)NCc2ccc(cc2)F
Chemical ID:
4288881
Name [?]:
4-[3-[(4-fluorophenyl)methylamino]butyl]phenol
SMILES [?]:
CC(CCc1ccc(cc1)O)NCc2ccc(cc2)F
InChi [?]:
InChI=1/C17H20FNO/c1-13(2-3-14-6-10-17(20)11-7-14)19-12-15-4-8-16(18)9-5-15/h4-11,13,19-20H,2-3,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,19,6,10,16,18,7,9,13,2,5,14,17,8,20,12,11/E:(4,5)(6,7)(8,9)(10,11)/rA:20cCCCCCCCCCCONCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s2;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20FNO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.36463
Area:496.648
Solvation:-3.05156
Coulombic:-31.0353
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.345
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.97
LogP (Chemaxon):3.81

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Descriptor Annotations

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