Chemical ID: 4439748

Cc1cccc(c1)OCCCCNCc2ccccc2
Chemical ID:
4439748
Name [?]:
N-benzyl-4-(3-methylphenoxy)-butan-1-amine
SMILES [?]:
Cc1cccc(c1)OCCCCNCc2ccccc2
InChi [?]:
InChI=1/C18H23NO/c1-16-8-7-11-18(14-16)20-13-6-5-12-19-15-17-9-3-2-4-10-17/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,11,10,4,3,16,20,5,12,9,7,14,2,15,6,13,8/E:(3,4)(9,10)/rA:20nCCCCCCCOCCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.3767
Area:520.577
Solvation:-2.63776
Coulombic:-19.3946
Bond Count [?]
All:21
Single:15
Double:6
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:269.381
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.41
LogP (Chemaxon):4.16

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