Chemical ID: 4122320

COCCCNC1CCOc2c1cccc2
Chemical ID:
4122320
Name [?]:
N-(3-methoxypropyl)chroman-4-amine
SMILES [?]:
COCCCNC1CCOc2c1cccc2
InChi [?]:
InChI=1/C13H19NO2/c1-15-9-4-8-14-12-7-10-16-13-6-3-2-5-11(12)13/h2-3,5-6,12,14H,4,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,4,13,16,8,5,3,9,12,7,11,6,2,10/rA:16cCOCCCNCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:6.54337
Area:419.697
Solvation:-3.94906
Coulombic:-24.6866
Bond Count [?]
All:17
Single:14
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.87
LogP (Chemaxon):1.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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