Chemical ID: 5829650

CCCCN(Cc1ccccc1)Cc2ccccc2F
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

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