Chemical ID: 5253978

c1cc(ccc1N)NCC2CCCO2
Chemical ID:
5253978
Name [?]:
N-(tetrahydrofuran-2-ylmethyl)benzene-1,4-diamine
SMILES [?]:
c1cc(ccc1N)NCC2CCCO2
InChi [?]:
InChI=1/C11H16N2O/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h3-6,11,13H,1-2,7-8,12H2
InChi Info:
AuxInfo=1/0/N:12,11,1,5,2,4,13,9,6,3,10,7,8,14/E:(3,4)(5,6)/rA:14cCCCCCCNNCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s3;s8;s9;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16N2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.73
Area:381.018
Solvation:-2.79545
Coulombic:-36.0237
Bond Count [?]
All:15
Single:12
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:192.258
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.78
LogP (Chemaxon):1.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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