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Chemical ID: 7509170
Chemical ID:
7509170
Name [?]:
N-[(3-chlorophenyl)methyl]-1-(4-methoxyphenyl)-propan-2-amine
SMILES [?]:
CC(Cc1ccc(cc1)OC)NCc2cccc(c2)Cl
InChi [?]:
InChI=1/C17H20ClNO/c1-13(10-14-6-8-17(20-2)9-7-14)19-12-15-4-3-5-16(18)11-15/h3-9,11,13,19H,10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,16,15,17,5,9,6,8,3,19,13,2,4,14,18,7,20,12,10/E:(6,7)(8,9)/rA:20cCCCCCCCCCOCNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s2;s12;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20ClNO |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0317 |
Area: | 506.048 |
Solvation: | -2.61949 |
Coulombic: | -19.0526 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.4 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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