Chemical ID: 7100113

CC(C)CC(Cc1ccccc1)N
Chemical ID:
7100113
Name [?]:
4-methyl-1-phenyl-pentan-2-amine
SMILES [?]:
CC(C)CC(Cc1ccccc1)N
InChi [?]:
InChI=1/C12H19N/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,9,11,8,12,4,6,2,7,5,13/E:(1,2)(4,5)(6,7)/rA:13cCCCCCCCCCCCCN/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19N
All Atoms:32
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:8.38926
Area:374.151
Solvation:-0.964512
Coulombic:-15.0544
Bond Count [?]
All:13
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:177.286
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.2
LogP (Chemaxon):3.02

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Descriptor Annotations

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