azane;benzene;chloroethane

C8H14ClN — CID 66632016

IUPACazane;benzene;chloroethane
SMILESCCCl.N.c1ccccc1
InChIInChI=1S/C6H6.C2H5Cl.H3N/c1-2-4-6-5-3-1;1-2-3;/h1-6H;2H2,1H3;1H3
InChIKeySHOATUREIMLTGS-UHFFFAOYSA-N
MW159.66 g/mol
LogP3.09
Rot. Bonds

About azane;benzene;chloroethane

azane;benzene;chloroethane (PubChem CID 66632016) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is azane;benzene;chloroethane.

Molecular Properties

Compound Nameazane;benzene;chloroethane
PubChem CID66632016
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Nameazane;benzene;chloroethane
SMILESCCCl.N.c1ccccc1
InChIInChI=1S/C6H6.C2H5Cl.H3N/c1-2-4-6-5-3-1;1-2-3;/h1-6H;2H2,1H3;1H3
InChIKeySHOATUREIMLTGS-UHFFFAOYSA-N
XLogP3.09
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;benzene;chloroethane?
The IUPAC name of azane;benzene;chloroethane (CID 66632016) is azane;benzene;chloroethane.
What is the SMILES notation for azane;benzene;chloroethane?
The canonical SMILES for azane;benzene;chloroethane is CCCl.N.c1ccccc1.
What is the InChIKey of azane;benzene;chloroethane?
The InChIKey is SHOATUREIMLTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H5Cl.H3N/c1-2-4-6-5-3-1;1-2-3;/h1-6H;2H2,1H3;1H3.
What are the key properties of azane;benzene;chloroethane?
azane;benzene;chloroethane has a molecular weight of 159.66 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzene;chloroethane is sourced from PubChem (CID 66632016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).