Chemical ID: 4254804

COc1ccc(cc1)CNC2CCCc3c2cccc3
Chemical ID:
4254804
Name [?]:
N-[(4-methoxyphenyl)methyl]tetralin-1-amine
SMILES [?]:
COc1ccc(cc1)CNC2CCCc3c2cccc3
InChi [?]:
InChI=1/C18H21NO/c1-20-16-11-9-14(10-12-16)13-19-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,9-12,18-19H,4,6,8,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,13,20,14,17,12,5,7,4,8,9,6,15,3,16,11,10,2/E:(9,10)(11,12)/rA:20cCOCCCCCCCNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s11s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.99074
Area:473.207
Solvation:-2.83944
Coulombic:-18.5094
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.365
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.03
LogP (Chemaxon):3.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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