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Chemical ID: 7512766
Chemical ID:
7512766
Name [?]:
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-cyclohexan-1-amine
SMILES [?]:
CC1CCC(CC1)NCCc2ccc(cc2)OC
InChi [?]:
InChI=1/C16H25NO/c1-13-3-7-15(8-4-13)17-12-11-14-5-9-16(18-2)10-6-14/h5-6,9-10,13,15,17H,3-4,7-8,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,3,7,12,16,4,6,13,15,10,9,2,11,5,14,8,17/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCCCCCCCNCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO |
All Atoms: | 43 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.42579 |
Area: | 468.426 |
Solvation: | -2.28486 |
Coulombic: | -18.288 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.94 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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