Chemical ID: 4122222

c1cc(ccc1CNC2CCCC2)F
Chemical ID:
4122222
Name [?]:
N-[(4-fluorophenyl)methyl]cyclopentanamine
SMILES [?]:
c1cc(ccc1CNC2CCCC2)F
InChi [?]:
InChI=1/C12H16FN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2
InChi Info:
AuxInfo=1/0/N:11,12,10,13,1,5,2,4,7,6,3,9,14,8/E:(1,2)(3,4)(5,6)(7,8)/rA:14nCCCCCCCNCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s9s12;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16FN
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.54307
Area:373.077
Solvation:-1.78386
Coulombic:-14.333
Bond Count [?]
All:15
Single:12
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:193.261
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.95
LogP (Chemaxon):2.9

Name Annotations

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Descriptor Annotations

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