Chemical ID: 4183046

COc1ccc(c2c1cccc2)CNc3ccccc3
Chemical ID:
4183046
Name [?]:
N-[(4-methoxy-1-naphthyl)methyl]aniline
SMILES [?]:
COc1ccc(c2c1cccc2)CNc3ccccc3
InChi [?]:
InChI=1/C18H17NO/c1-20-18-12-11-14(16-9-5-6-10-17(16)18)13-19-15-7-3-2-4-8-15/h2-12,19H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,11,10,16,20,12,9,5,4,13,6,15,7,8,3,14,2/E:(3,4)(7,8)/rA:20nCOCCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s7d11;s6;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.0131
Area:464.104
Solvation:-2.58949
Coulombic:-22.4011
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:263.334
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.56
LogP (Chemaxon):4.15

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Descriptor Annotations

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