Chemical ID: 5173740

CCC(Cc1ccc(c(c1)OC)OC)N
Chemical ID:
5173740
Name [?]:
1-(3,4-dimethoxyphenyl)butan-2-amine
SMILES [?]:
CCC(Cc1ccc(c(c1)OC)OC)N
InChi [?]:
InChI=1/C12H19NO2/c1-4-10(13)7-9-5-6-11(14-2)12(8-9)15-3/h5-6,8,10H,4,7,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,12,2,6,7,4,10,5,3,8,9,15,13,11/rA:15cCCCCCCCCCCOCOCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8;s13;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:5.57669
Area:399.185
Solvation:-4.40293
Coulombic:-27.0701
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:209.285
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.68
LogP (Chemaxon):1.79

Name Annotations

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Descriptor Annotations

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