Chemical ID: 5017982

CCCCN(CCCC)CC(C)(c1ccccc1)O
Chemical ID:
5017982
Name [?]:
1-dibutylamino-2-phenyl-propan-2-ol
SMILES [?]:
CCCCN(CCCC)CC(C)(c1ccccc1)O
InChi [?]:
InChI=1/C17H29NO/c1-4-6-13-18(14-7-5-2)15-17(3,19)16-11-9-8-10-12-16/h8-12,19H,4-7,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,12,2,8,3,7,16,15,17,14,18,4,6,10,13,11,5,19/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)/rA:19cCCCCNCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s11;s13;d14;s15;d16;d13s17;s11;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:10.732
Area:505.437
Solvation:-1.90391
Coulombic:-25.7046
Bond Count [?]
All:19
Single:16
Double:3
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:263.418
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.98
LogP (Chemaxon):4.05

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue