Chemical ID: 5058484

Cc1cc(ccc1OC)C2Cc3ccccc3N2
Chemical ID:
5058484
Name [?]:
2-(4-methoxy-3-methyl-phenyl)indoline
SMILES [?]:
Cc1cc(ccc1OC)C2Cc3ccccc3N2
InChi [?]:
InChI=1/C16H17NO/c1-11-9-13(7-8-16(11)18-2)15-10-12-5-3-4-6-14(12)17-15/h3-9,15,17H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,14,15,13,16,5,6,3,11,2,12,4,17,10,7,18,8/rA:18cCCCCCCCOCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;s10;s11;s12;d13;s14;d15;d12s16;s10s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.33406
Area:426.923
Solvation:-2.33902
Coulombic:-20.8579
Bond Count [?]
All:20
Single:14
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:239.312
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.47
LogP (Chemaxon):3.66

Name Annotations

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Descriptor Annotations

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