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Chemical ID: 4122347
Chemical ID:
4122347
Name [?]:
N-[(2-fluorophenyl)methyl]-1-methoxy-propan-2-amine
SMILES [?]:
CC(COC)NCc1ccccc1F
InChi [?]:
InChI=1/C11H16FNO/c1-9(8-14-2)13-7-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,10,11,9,12,7,3,2,8,13,14,6,4/rA:14cCCCOCNCCCCCCCF/rB:s1;s2;s3;s4;s2;s6;s7;s8;d9;s10;d11;d8s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16FNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.00634 |
Area: | 384.232 |
Solvation: | -3.59945 |
Coulombic: | -21.2637 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 197.249 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.97 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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