Chemical ID: 4683450

CCCCNC(Cc1ccccc1)c2ccc(cc2)F
Chemical ID:
4683450
Name [?]:
N-[1-(4-fluorophenyl)-2-phenyl-ethyl]butan-1-amine
SMILES [?]:
CCCCNC(Cc1ccccc1)c2ccc(cc2)F
InChi [?]:
InChI=1/C18H22FN/c1-2-3-13-20-18(14-15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12,18,20H,2-3,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,11,10,12,9,13,15,19,16,18,4,7,8,14,17,6,20,5/E:(5,6)(7,8)(9,10)(11,12)/rA:20cCCCCNCCCCCCCCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s6;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22FN
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:10.2696
Area:495.471
Solvation:-2.11714
Coulombic:-16.4723
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:271.372
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.02
LogP (Chemaxon):5.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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