Chemical ID: 6619995

CCC(CN(c1ccccc1)c2ccccc2)O
Chemical ID:
6619995
Name [?]:
1-diphenylaminobutan-2-ol
SMILES [?]:
CCC(CN(c1ccccc1)c2ccccc2)O
InChi [?]:
InChI=1/C16H19NO/c1-2-16(18)13-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,15,8,10,14,16,7,11,13,17,4,6,12,3,5,18/E:(3,4)(5,6,7,8)(9,10,11,12)(14,15)/rA:18cCCCCNCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s5;s12;d13;s14;d15;d12s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.54295
Area:437.996
Solvation:-2.40694
Coulombic:-25.5493
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:241.328
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.91
LogP (Chemaxon):3.98

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Descriptor Annotations

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