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Chemical ID: 4178329
Chemical ID:
4178329
Name [?]:
N-(cyclopropylmethyl)-N-[(2-methoxyphenyl)methyl]propan-1-amine
SMILES [?]:
CCCN(Cc1ccccc1OC)CC2CC2
InChi [?]:
InChI=1/C15H23NO/c1-3-10-16(11-13-8-9-13)12-14-6-4-5-7-15(14)17-2/h4-7,13H,3,8-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,8,9,7,10,16,17,3,14,5,15,6,11,4,12/E:(8,9)/rA:17cCCCNCCCCCCCOCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s4;s14;s15;s15s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.30183 |
Area: | 439.199 |
Solvation: | -2.67815 |
Coulombic: | -13.8694 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 233.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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