Chemical ID: 5012280

Cc1ccc(cc1)NCc2c3ccccc3ccc2O
Chemical ID:
5012280
Name [?]:
1-(p-tolylaminomethyl)naphthalen-2-ol
SMILES [?]:
Cc1ccc(cc1)NCc2c3ccccc3ccc2O
InChi [?]:
InChI=1/C18H17NO/c1-13-6-9-15(10-7-13)19-12-17-16-5-3-2-4-14(16)8-11-18(17)20/h2-11,19-20H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,3,7,17,4,6,18,9,2,16,5,11,10,19,8,20/E:(6,7)(9,10)/rA:20nCCCCCCCNCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;d10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.51459
Area:464.745
Solvation:-2.10403
Coulombic:-30.8272
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:263.334
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.67
LogP (Chemaxon):4.58

Name Annotations

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Descriptor Annotations

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