Chemical ID: 7244149

CCCOc1ccc(cc1OCCC)C(C)N
Chemical ID:
7244149
Name [?]:
1-(3,4-dipropoxyphenyl)ethanamine
SMILES [?]:
CCCOc1ccc(cc1OCCC)C(C)N
InChi [?]:
InChI=1/C14H23NO2/c1-4-8-16-13-7-6-12(11(3)15)10-14(13)17-9-5-2/h6-7,10-11H,4-5,8-9,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,16,2,13,7,6,3,12,9,15,8,5,10,17,4,11/rA:17cCCCOCCCCCCOCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s8;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23NO2
All Atoms:40
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.5603
Area:465.895
Solvation:-4.08706
Coulombic:-28.1219
Bond Count [?]
All:17
Single:14
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:237.338
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.79
LogP (Chemaxon):2.69

Name Annotations

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Descriptor Annotations

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