Chemical ID: 4122062

CCc1ccc(cc1)CNCC2CCCO2
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

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