Chemical ID: 3967828

CNCCC(c1ccccc1)Oc2ccccc2OC
Chemical ID:
3967828
Name [?]:
3-(2-methoxyphenoxy)-N-methyl-3-phenyl-propan-1-amine
SMILES [?]:
CNCCC(c1ccccc1)Oc2ccccc2OC
InChi [?]:
InChI=1/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,9,8,10,16,15,7,11,17,14,4,3,6,5,18,13,2,19,12/E:(4,5)(8,9)/rA:20cCNCCCCCCCCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s5;s12;s13;d14;s15;d16;d13s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.98255
Area:485.412
Solvation:-4.15274
Coulombic:-26.4647
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:271.354
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.37
LogP (Chemaxon):3.06

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Descriptor Annotations

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