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Chemical ID: 5832155
Chemical ID:
5832155
Name [?]:
N-[(2-fluorophenyl)methyl]-N-(4-pyridylmethyl)ethanamine
SMILES [?]:
CCN(Cc1ccncc1)Cc2ccccc2F
InChi [?]:
InChI=1/C15H17FN2/c1-2-18(11-13-7-9-17-10-8-13)12-14-5-3-4-6-15(14)16/h3-10H,2,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,13,16,6,10,7,9,4,11,5,12,17,18,8,3/E:(7,8)(9,10)/rA:18cCCNCCCCNCCCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17FN2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.54853 |
Area: | 429.618 |
Solvation: | -3.19193 |
Coulombic: | -14.4774 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 244.307 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.81 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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