Chemical ID: 5168328

c1ccc2c(c1)CCN(C2)CCN
Chemical ID:
5168328
Name [?]:
2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILES [?]:
c1ccc2c(c1)CCN(C2)CCN
InChi [?]:
InChI=1/C11H16N2/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13/h1-4H,5-9,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,12,8,11,10,5,4,13,9/rA:13cCCCCCCCCNCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16N2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.41016
Area:351.579
Solvation:-1.37931
Coulombic:-18.4309
Bond Count [?]
All:14
Single:11
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:176.258
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.84
LogP (Chemaxon):1.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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