Chemical ID: 5191622

CNCC(COCc1ccccc1)O
Chemical ID:
5191622
Name [?]:
1-benzyloxy-3-methylamino-propan-2-ol
SMILES [?]:
CNCC(COCc1ccccc1)O
InChi [?]:
InChI=1/C11H17NO2/c1-12-7-11(13)9-14-8-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,13,3,7,5,8,4,2,14,6/E:(3,4)(5,6)/rA:14cCNCCCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.20673
Area:404.665
Solvation:-4.90988
Coulombic:-33.7023
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:195.258
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.67
LogP (Chemaxon):1.03

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Experimental Annotations

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Descriptor Annotations

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