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Chemical ID: 4122062
Chemical ID:
4122062
Name [?]:
1-(4-ethylphenyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine
SMILES [?]:
CCc1ccc(cc1)CNCC2CCCO2
InChi [?]:
InChI=1/C14H21NO/c1-2-12-5-7-13(8-6-12)10-15-11-14-4-3-9-16-14/h5-8,14-15H,2-4,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,4,8,5,7,15,9,11,3,6,12,10,16/E:(5,6)(7,8)/rA:16cCCCCCCCCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.7241 |
Area: | 434.297 |
Solvation: | -3.13332 |
Coulombic: | -17.6509 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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