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Chemical ID: 6332584
Chemical ID:
6332584
Name [?]:
2-(4-bromophenyl)-1-dimethylamino-propan-2-ol
SMILES [?]:
CC(CN(C)C)(c1ccc(cc1)Br)O
InChi [?]:
InChI=1/C11H16BrNO/c1-11(14,8-13(2)3)9-4-6-10(12)7-5-9/h4-7,14H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,6,8,12,9,11,3,7,10,2,13,4,14/E:(2,3)(4,5)(6,7)/rA:14cCCCNCCCCCCCCBrO/rB:s1;s2;s3;s4;s4;s2;s7;d8;s9;d10;d7s11;s10;s2;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16BrNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.79245 |
Area: | 384.869 |
Solvation: | -1.82927 |
Coulombic: | -23.7692 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 258.155 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.08 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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