Chemical ID: 7061790

CCCCN(C)CCCOc1ccccc1
Chemical ID:
7061790
Name [?]:
N-methyl-N-(3-phenoxypropyl)butan-1-amine
SMILES [?]:
CCCCN(C)CCCOc1ccccc1
InChi [?]:
InChI=1/C14H23NO/c1-3-4-11-15(2)12-8-13-16-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,14,13,15,8,12,16,4,7,9,11,5,10/E:(6,7)(9,10)/rA:16cCCCCNCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23NO
All Atoms:39
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:9.09549
Area:457.697
Solvation:-2.34693
Coulombic:-14.5711
Bond Count [?]
All:16
Single:13
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:221.339
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.5
LogP (Chemaxon):3.03

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Descriptor Annotations

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