Chemical ID: 5001129

CC(c1ccc(cc1)OC)N
Chemical ID:
5001129
Name [?]:
1-(4-methoxyphenyl)ethanamine
SMILES [?]:
CC(c1ccc(cc1)OC)N
InChi [?]:
InChI=1/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,4,8,5,7,2,3,6,11,9/E:(3,4)(5,6)/rA:11cCCCCCCCCOCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s2;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13NO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:5.82353
Area:320.172
Solvation:-2.18078
Coulombic:-20.427
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:151.206
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.59
LogP (Chemaxon):1.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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