Chemical ID: 5256043

CCCC(C)(Cc1ccc(cc1)Cl)N
Chemical ID:
5256043
Name [?]:
1-(4-chlorophenyl)-2-methyl-pentan-2-amine
SMILES [?]:
CCCC(C)(Cc1ccc(cc1)Cl)N
InChi [?]:
InChI=1/C12H18ClN/c1-3-8-12(2,14)9-10-4-6-11(13)7-5-10/h4-7H,3,8-9,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,8,12,9,11,3,6,7,10,4,13,14/E:(4,5)(6,7)/rA:14cCCCCCCCCCCCCClN/rB:s1;s2;s3;s4;s4;s6;s7;d8;s9;d10;d7s11;s10;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18ClN
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:9.04324
Area:397.673
Solvation:-0.898587
Coulombic:-15.0369
Bond Count [?]
All:14
Single:11
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:211.731
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.73
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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