Chemical ID: 6212728

CCC(c1ccccc1)OCC(CNC(C)C)O
Chemical ID:
6212728
Name [?]:
1-isopropylamino-3-(1-phenylpropoxy)propan-2-ol
SMILES [?]:
CCC(c1ccccc1)OCC(CNC(C)C)O
InChi [?]:
InChI=1/C15H25NO2/c1-4-15(13-8-6-5-7-9-13)18-11-14(17)10-16-12(2)3/h5-9,12,14-17H,4,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,17,2,7,6,8,5,9,13,11,15,4,12,3,14,18,10/E:(2,3)(6,7)(8,9)/rA:18cCCCCCCCCCOCCCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s10;s11;s12;s13;s14;s15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:7.61689
Area:484.711
Solvation:-4.5009
Coulombic:-34.8015
Bond Count [?]
All:18
Single:15
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:251.365
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.44
LogP (Chemaxon):2.67

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