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Chemical ID: 7101772
Chemical ID:
7101772
Name [?]:
N-(p-tolylmethyl)propan-1-amine
SMILES [?]:
CCCNCc1ccc(cc1)C
InChi [?]:
InChI=1/C11H17N/c1-3-8-12-9-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,8,10,7,11,3,5,9,6,4/E:(4,5)(6,7)/rA:12nCCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N |
All Atoms: | 29 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0967 |
Area: | 364.965 |
Solvation: | -1.02743 |
Coulombic: | -10.864 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 163.259 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.75 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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