Chemical ID: 5486748

CCC(C)(C)NCC(c1ccccc1)O
Chemical ID:
5486748
Name [?]:
2-(1,1-dimethylpropylamino)-1-phenyl-ethanol
SMILES [?]:
CCC(C)(C)NCC(c1ccccc1)O
InChi [?]:
InChI=1/C13H21NO/c1-4-13(2,3)14-10-12(15)11-8-6-5-7-9-11/h5-9,12,14-15H,4,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,5,2,12,11,13,10,14,7,9,8,3,6,15/E:(2,3)(6,7)(8,9)/rA:15cCCCCCNCCCCCCCCO/rB:s1;s2;s3;s3;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.85363
Area:409.397
Solvation:-2.38128
Coulombic:-27.7367
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:207.312
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.59
LogP (Chemaxon):2.5

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Descriptor Annotations

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