Chemical ID: 7104583

CC(C12CC3CC(C1)CC(C3)C2)NCc4ccccc4F
Chemical ID:
7104583
Name [?]:
1-(1-adamantyl)-N-[(2-fluorophenyl)methyl]ethanamine
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)NCc4ccccc4F
InChi [?]:
InChI=1/C19H26FN/c1-13(21-12-17-4-2-3-5-18(17)20)19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,13-16,21H,6-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,19,6,9,11,8,4,12,14,2,7,5,10,15,20,3,21,13/E:(6,7,8)(9,10,11)(14,15,16)/rA:21cCCCCCCCCCCCCNCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26FN
All Atoms:47
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.5414
Area:457.88
Solvation:-1.90559
Coulombic:-15.3561
Bond Count [?]
All:24
Single:21
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.415
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.84
LogP (Chemaxon):4.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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