Chemical ID: 5490819

CC(C)Oc1ccc(cc1)N
Chemical ID:
5490819
Name [?]:
4-isopropoxyaniline
SMILES [?]:
CC(C)Oc1ccc(cc1)N
InChi [?]:
InChI=1/C9H13NO/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,9,6,10,2,8,5,11,4/E:(1,2)(3,4)(5,6)/rA:11nCCCOCCCCCCN/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13NO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.26781
Area:321.824
Solvation:-1.7778
Coulombic:-24.6958
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:151.206
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.0
LogP (Chemaxon):1.77

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Experimental Annotations

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Descriptor Annotations

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