ethanamine;1-phenylethylbenzene

C16H21N — CID 19985218

IUPACethanamine;1-phenylethylbenzene
SMILESCC(c1ccccc1)c1ccccc1.CCN
InChIInChI=1S/C14H14.C2H7N/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2-3/h2-12H,1H3;2-3H2,1H3
InChIKeyNAGXARGCDYMMSE-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.80
Rot. Bonds2

About ethanamine;1-phenylethylbenzene

ethanamine;1-phenylethylbenzene (PubChem CID 19985218) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is ethanamine;1-phenylethylbenzene.

Molecular Properties

Compound Nameethanamine;1-phenylethylbenzene
PubChem CID19985218
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Nameethanamine;1-phenylethylbenzene
SMILESCC(c1ccccc1)c1ccccc1.CCN
InChIInChI=1S/C14H14.C2H7N/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2-3/h2-12H,1H3;2-3H2,1H3
InChIKeyNAGXARGCDYMMSE-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
ethane;methane;1-phenylethylbenzene
CID 143105414
ethane;2-fluorobutane;1-phenylethylbenzene
CID 142933891
cumene;ethane;1-phenylethylbenzene
CID 158118082
N,N-diethyl-4-(1-phenylethyl)aniline
CID 68828092
ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene
CID 145108113
isocyanic acid;1-phenylethylbenzene
CID 172750897
1-ethyl-2,4-bis(1-phenylethyl)benzene
CID 3019817
cumene;2-methylpropane;propane
CID 158125037

Frequently Asked Questions

What is the IUPAC name of ethanamine;1-phenylethylbenzene?
The IUPAC name of ethanamine;1-phenylethylbenzene (CID 19985218) is ethanamine;1-phenylethylbenzene.
What is the SMILES notation for ethanamine;1-phenylethylbenzene?
The canonical SMILES for ethanamine;1-phenylethylbenzene is CC(c1ccccc1)c1ccccc1.CCN.
What is the InChIKey of ethanamine;1-phenylethylbenzene?
The InChIKey is NAGXARGCDYMMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C2H7N/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2-3/h2-12H,1H3;2-3H2,1H3.
What are the key properties of ethanamine;1-phenylethylbenzene?
ethanamine;1-phenylethylbenzene has a molecular weight of 227.35 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;1-phenylethylbenzene is sourced from PubChem (CID 19985218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).