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Chemical ID: 4254804
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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