Chemical ID: 3963975

CCCN(CCc1ccccc1)C2CCc3c(cccc3O)C2
Chemical ID:
3963975
Name [?]:
6-(phenethyl-propyl-amino)tetralin-1-ol
SMILES [?]:
CCCN(CCc1ccccc1)C2CCc3c(cccc3O)C2
InChi [?]:
InChI=1/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,11,19,8,12,18,20,14,15,6,3,5,23,7,17,13,16,21,4,22/E:(4,5)(7,8)/rA:23cCCCNCCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s4;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27NO
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:11.4139
Area:543.33
Solvation:-2.16939
Coulombic:-24.5946
Bond Count [?]
All:25
Single:19
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:309.445
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.41
LogP (Chemaxon):4.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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