1-(2-phenylethyl)-1,3,5-triazinane

C11H17N3 — CID 126970923

IUPAC1-(2-phenylethyl)-1,3,5-triazinane
SMILESc1ccc(CCN2CNCNC2)cc1
InChIInChI=1S/C11H17N3/c1-2-4-11(5-3-1)6-7-14-9-12-8-13-10-14/h1-5,12-13H,6-10H2
InChIKeyVPUOULBSRRXQKP-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.60
Rot. Bonds3

About 1-(2-phenylethyl)-1,3,5-triazinane

1-(2-phenylethyl)-1,3,5-triazinane (PubChem CID 126970923) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(2-phenylethyl)-1,3,5-triazinane.

Molecular Properties

Compound Name1-(2-phenylethyl)-1,3,5-triazinane
PubChem CID126970923
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(2-phenylethyl)-1,3,5-triazinane
SMILESc1ccc(CCN2CNCNC2)cc1
InChIInChI=1S/C11H17N3/c1-2-4-11(5-3-1)6-7-14-9-12-8-13-10-14/h1-5,12-13H,6-10H2
InChIKeyVPUOULBSRRXQKP-UHFFFAOYSA-N
XLogP0.60
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
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CID 60971520
4-methylidene-1-(2-phenylethyl)piperidine
CID 58902713
1-benzyl-1,3-diazetidine
CID 67702530
1-(azetidin-3-yl)-4-(2-phenylethyl)piperazine
CID 66202494
1-(2-phenylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 14869439
1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
CID 10264250
1-[1-(2-phenylethyl)azetidin-3-yl]piperazine
CID 66203365
(3aR,6aS)-5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;propane
CID 144963091
methane;4-(2-phenylethyl)morpholine
CID 143698819
3-(2-phenylethyl)-6-oxa-3-azabicyclo[3.1.0]hexane
CID 54116015

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-1,3,5-triazinane?
The IUPAC name of 1-(2-phenylethyl)-1,3,5-triazinane (CID 126970923) is 1-(2-phenylethyl)-1,3,5-triazinane.
What is the SMILES notation for 1-(2-phenylethyl)-1,3,5-triazinane?
The canonical SMILES for 1-(2-phenylethyl)-1,3,5-triazinane is c1ccc(CCN2CNCNC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-1,3,5-triazinane?
The InChIKey is VPUOULBSRRXQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-4-11(5-3-1)6-7-14-9-12-8-13-10-14/h1-5,12-13H,6-10H2.
What are the key properties of 1-(2-phenylethyl)-1,3,5-triazinane?
1-(2-phenylethyl)-1,3,5-triazinane has a molecular weight of 191.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-1,3,5-triazinane is sourced from PubChem (CID 126970923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).