Chemical ID: 4183031

CCC(CC)NCc1ccccc1OC
Chemical ID:
4183031
Name [?]:
N-[(2-methoxyphenyl)methyl]pentan-3-amine
SMILES [?]:
CCC(CC)NCc1ccccc1OC
InChi [?]:
InChI=1/C13H21NO/c1-4-12(5-2)14-10-11-8-6-7-9-13(11)15-3/h6-9,12,14H,4-5,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,15,2,4,10,11,9,12,7,8,3,13,6,14/E:(1,2)(4,5)/rA:15nCCCCCNCCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.52461
Area:396.141
Solvation:-2.37892
Coulombic:-17.626
Bond Count [?]
All:15
Single:12
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:207.312
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.05
LogP (Chemaxon):3.01

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