Chemical ID: 4260843

CC(c1ccccc1)N
Chemical ID:
4260843
Name [?]:
1-phenylethanamine
SMILES [?]:
CC(c1ccccc1)N
InChi [?]:
InChI=1/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,8,2,3,9/E:(3,4)(5,6)/rA:9cCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N
All Atoms:9
Heavy Atoms:9
Chiral Atoms:1
ZAP Information [?]
Total:6.11373
Area:281.688
Solvation:-0.928478
Coulombic:-14.131
Bond Count [?]
All:9
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:121.18
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.67
LogP (Chemaxon):1.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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