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Chemical ID: 5829650
Chemical ID:
5829650
Name [?]:
N-benzyl-N-[(2-fluorophenyl)methyl]butan-1-amine
SMILES [?]:
CCCCN(Cc1ccccc1)Cc2ccccc2F
InChi [?]:
InChI=1/C18H22FN/c1-2-3-13-20(14-16-9-5-4-6-10-16)15-17-11-7-8-12-18(17)19/h4-12H,2-3,13-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,10,9,11,16,17,8,12,15,18,4,6,13,7,14,19,20,5/E:(5,6)(9,10)/rA:20cCCCCNCCCCCCCCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s5;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22FN |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.58354 |
Area: | 485.362 |
Solvation: | -2.55051 |
Coulombic: | -12.5408 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 271.372 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.99 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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