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Chemical ID: 4439748
Chemical ID:
4439748
Name [?]:
N-benzyl-4-(3-methylphenoxy)-butan-1-amine
SMILES [?]:
Cc1cccc(c1)OCCCCNCc2ccccc2
InChi [?]:
InChI=1/C18H23NO/c1-16-8-7-11-18(14-16)20-13-6-5-12-19-15-17-9-3-2-4-10-17/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,11,10,4,3,16,20,5,12,9,7,14,2,15,6,13,8/E:(3,4)(9,10)/rA:20nCCCCCCCOCCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3767 |
Area: | 520.577 |
Solvation: | -2.63776 |
Coulombic: | -19.3946 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.41 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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