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Chemical ID: 7101597
Chemical ID:
7101597
Name [?]:
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]methanamine
SMILES [?]:
CNCc1ccc(cc1)OCc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H16ClNO/c1-17-10-12-4-8-15(9-5-12)18-11-13-2-6-14(16)7-3-13/h2-9,17H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,17,5,9,14,16,6,8,3,11,4,12,15,7,18,2,10/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCNCCCCCCCOCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16ClNO |
All Atoms: | 34 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.26745 |
Area: | 476.481 |
Solvation: | -2.64457 |
Coulombic: | -19.0675 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 261.746 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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