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Chemical ID: 5829771
Chemical ID:
5829771
Name [?]:
N-[(4-chlorophenyl)methyl]-N-methyl-butan-1-amine
SMILES [?]:
CCCCN(C)Cc1ccc(cc1)Cl
InChi [?]:
InChI=1/C12H18ClN/c1-3-4-9-14(2)10-11-5-7-12(13)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,9,13,10,12,4,7,8,11,14,5/E:(5,6)(7,8)/rA:14cCCCCNCCCCCCCCCl/rB:s1;s2;s3;s4;s5;s5;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18ClN |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.34817 |
Area: | 417.224 |
Solvation: | -1.08244 |
Coulombic: | -7.82364 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.731 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.75 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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