benzylbenzene;ethane;methanamine

C22H41N — CID 54117827

IUPACbenzylbenzene;ethane;methanamine
SMILESCC.CC.CC.CC.CN.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.4C2H6.CH5N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;5*1-2/h1-10H,11H2;4*1-2H3;2H2,1H3
InChIKeyNLOZUELJNZERFK-UHFFFAOYSA-N
MW319.58 g/mol
LogP6.96
Rot. Bonds2

About benzylbenzene;ethane;methanamine

benzylbenzene;ethane;methanamine (PubChem CID 54117827) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is benzylbenzene;ethane;methanamine.

Molecular Properties

Compound Namebenzylbenzene;ethane;methanamine
PubChem CID54117827
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Namebenzylbenzene;ethane;methanamine
SMILESCC.CC.CC.CC.CN.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.4C2H6.CH5N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;5*1-2/h1-10H,11H2;4*1-2H3;2H2,1H3
InChIKeyNLOZUELJNZERFK-UHFFFAOYSA-N
XLogP6.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
phenyl(113C)methylbenzene
CID 11194569
benzylbenzene;ethane;methoxymethane
CID 159187560
benzylbenzene;methoxymethane
CID 161110966
potassium;benzylbenzene;hydride
CID 173011788
benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene
CID 160824127
benzylbenzene;N,N'-dimethylmethanediimine;ethane
CID 91400780
benzylbenzene;ethane;bis(1,2,3,4,5-pentabromo-6-ethylbenzene);bis(1,2,4,5-tetrabromo-3,6-diethylbenzene)
CID 160977987
benzylbenzene;1,1'-biphenyl;ethane;methane;naphthalene
CID 160690340
1,4-bis(4-benzylphenyl)benzene
CID 58251041
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;ethane;methanamine?
The IUPAC name of benzylbenzene;ethane;methanamine (CID 54117827) is benzylbenzene;ethane;methanamine.
What is the SMILES notation for benzylbenzene;ethane;methanamine?
The canonical SMILES for benzylbenzene;ethane;methanamine is CC.CC.CC.CC.CN.c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of benzylbenzene;ethane;methanamine?
The InChIKey is NLOZUELJNZERFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.4C2H6.CH5N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;5*1-2/h1-10H,11H2;4*1-2H3;2H2,1H3.
What are the key properties of benzylbenzene;ethane;methanamine?
benzylbenzene;ethane;methanamine has a molecular weight of 319.58 g/mol, XLogP of 6.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;ethane;methanamine is sourced from PubChem (CID 54117827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).