Chemical ID: 4679842

CCC(CC)(CN(CC)c1ccccc1)O
Chemical ID:
4679842
Name [?]:
3-[(ethyl-phenyl-amino)methyl]pentan-3-ol
SMILES [?]:
CCC(CC)(CN(CC)c1ccccc1)O
InChi [?]:
InChI=1/C14H23NO/c1-4-14(16,5-2)12-15(6-3)13-10-8-7-9-11-13/h7-11,16H,4-6,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,9,2,4,8,13,12,14,11,15,6,10,3,7,16/E:(1,2)(4,5)(8,9)(10,11)/rA:16cCCCCCCNCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s7;s10;d11;s12;d13;d10s14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.59814
Area:408.633
Solvation:-1.61767
Coulombic:-26.0365
Bond Count [?]
All:16
Single:13
Double:3
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:221.339
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.54
LogP (Chemaxon):3.64

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Descriptor Annotations

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