Chemical ID: 4294465

CCCCNCCCCCOc1ccc(cc1C)C
Chemical ID:
4294465
Name [?]:
N-butyl-5-(2,4-dimethylphenoxy)-pentan-1-amine
SMILES [?]:
CCCCNCCCCCOc1ccc(cc1C)C
InChi [?]:
InChI=1/C17H29NO/c1-4-5-11-18-12-7-6-8-13-19-17-10-9-15(2)14-16(17)3/h9-10,14,18H,4-8,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,2,3,8,7,9,14,13,4,6,10,16,15,17,12,5,11/rA:19nCCCCNCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:11.21
Area:536.252
Solvation:-2.19632
Coulombic:-18.6574
Bond Count [?]
All:19
Single:16
Double:3
Rotors:10
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:263.418
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.64
LogP (Chemaxon):4.45

Name Annotations

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Descriptor Annotations

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