azane;ethanol;toluene

C9H17NO — CID 131739211

IUPACazane;ethanol;toluene
SMILESCCO.Cc1ccccc1.N
InChIInChI=1S/C7H8.C2H6O.H3N/c1-7-5-3-2-4-6-7;1-2-3;/h2-6H,1H3;3H,2H2,1H3;1H3
InChIKeyTVHGOERCDJOGSV-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.16
Rot. Bonds

About azane;ethanol;toluene

azane;ethanol;toluene (PubChem CID 131739211) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is azane;ethanol;toluene.

Molecular Properties

Compound Nameazane;ethanol;toluene
PubChem CID131739211
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameazane;ethanol;toluene
SMILESCCO.Cc1ccccc1.N
InChIInChI=1S/C7H8.C2H6O.H3N/c1-7-5-3-2-4-6-7;1-2-3;/h2-6H,1H3;3H,2H2,1H3;1H3
InChIKeyTVHGOERCDJOGSV-UHFFFAOYSA-N
XLogP2.16
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cinnamyl Alcohol
CID 5315892
Benzenepropanol
CID 31234
5-Phenyl-1-pentanol
CID 61523
2-Pentylcinnamic alcohol
CID 5368491
Phenylisohexanol
CID 108312
3-Phenylprop-2-En-1-Ol
CID 308
2-Pentyl-3-phenylprop-2-en-1-ol
CID 6076971
4-Phenylbut-3-en-2-ol
CID 15172
alpha-Amylcinnamyl alcohol
CID 7584
(3Z)-4-Phenyl-3-buten-2-ol
CID 11469151
4-Phenyl-3-buten-2-ol, (3E)-
CID 5369489
2-Benzylheptan-1-ol
CID 64916

Frequently Asked Questions

What is the IUPAC name of azane;ethanol;toluene?
The IUPAC name of azane;ethanol;toluene (CID 131739211) is azane;ethanol;toluene.
What is the SMILES notation for azane;ethanol;toluene?
The canonical SMILES for azane;ethanol;toluene is CCO.Cc1ccccc1.N.
What is the InChIKey of azane;ethanol;toluene?
The InChIKey is TVHGOERCDJOGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C2H6O.H3N/c1-7-5-3-2-4-6-7;1-2-3;/h2-6H,1H3;3H,2H2,1H3;1H3.
What are the key properties of azane;ethanol;toluene?
azane;ethanol;toluene has a molecular weight of 155.24 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethanol;toluene is sourced from PubChem (CID 131739211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).