Chemical ID: 4122140

c1cc(ccc1CNCCCN2CCOCC2)F
Chemical ID:
4122140
Name [?]:
N-[(4-fluorophenyl)methyl]-3-morpholino-propan-1-amine
SMILES [?]:
c1cc(ccc1CNCCCN2CCOCC2)F
InChi [?]:
InChI=1/C14H21FN2O/c15-14-4-2-13(3-5-14)12-16-6-1-7-17-8-10-18-11-9-17/h2-5,16H,1,6-12H2
InChi Info:
AuxInfo=1/0/N:10,1,5,2,4,9,11,13,17,14,16,7,6,3,18,8,12,15/E:(2,3)(4,5)(8,9)(10,11)/rA:18nCCCCCCCNCCCNCCOCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21FN2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.74957
Area:461.889
Solvation:-3.79765
Coulombic:-26.3342
Bond Count [?]
All:19
Single:16
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:252.328
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.51
LogP (Chemaxon):1.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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