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Chemical ID: 6423155
Chemical ID:
6423155
Name [?]:
N-isopropyl-2-methyl-1-phenyl-propan-1-amine
SMILES [?]:
CC(C)C(c1ccccc1)NC(C)C
InChi [?]:
InChI=1/C13H21N/c1-10(2)13(14-11(3)4)12-8-6-5-7-9-12/h5-11,13-14H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,13,14,8,7,9,6,10,2,12,5,4,11/E:(1,2)(3,4)(6,7)(8,9)/rA:14cCCCCCCCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s4;s11;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.78895 |
Area: | 383.627 |
Solvation: | -0.801721 |
Coulombic: | -11.9173 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 191.313 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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