dichloromethane;N,N-diethylaniline

C11H17Cl2N — CID 157472052

IUPACdichloromethane;N,N-diethylaniline
SMILESCCN(CC)c1ccccc1.ClCCl
InChIInChI=1S/C10H15N.CH2Cl2/c1-3-11(4-2)10-8-6-5-7-9-10;2-1-3/h5-9H,3-4H2,1-2H3;1H2
InChIKeyBVDONZQCJZDZJR-UHFFFAOYSA-N
MW234.17 g/mol
LogP3.95
Rot. Bonds3

About dichloromethane;N,N-diethylaniline

dichloromethane;N,N-diethylaniline (PubChem CID 157472052) has the molecular formula C11H17Cl2N and a molecular weight of 234.17 g/mol. Its IUPAC name is dichloromethane;N,N-diethylaniline.

Molecular Properties

Compound Namedichloromethane;N,N-diethylaniline
PubChem CID157472052
Molecular FormulaC11H17Cl2N
Molecular Weight234.17 g/mol
Exact Mass233.07
IUPAC Namedichloromethane;N,N-diethylaniline
SMILESCCN(CC)c1ccccc1.ClCCl
InChIInChI=1S/C10H15N.CH2Cl2/c1-3-11(4-2)10-8-6-5-7-9-10;2-1-3/h5-9H,3-4H2,1-2H3;1H2
InChIKeyBVDONZQCJZDZJR-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylaniline
CID 7061
N,N-diethylaniline;hydrazine
CID 161037544
CID 161146216
CID 161146216
boric acid;dodecakis(N,N-diethylaniline)
CID 172757601
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
bis(N,N-diethylaniline);sulfuric acid;hydrate
CID 174461445
N-[2-(chloromethyl)prop-2-enyl]-N-ethylaniline
CID 103067583
N,N-diethylaniline;triethoxysilane
CID 173388363
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N-ethyl-N-(2-iodoethyl)aniline
CID 23460336
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254
N,N-diethyl-4-triphenylplumbylaniline
CID 4999017

Frequently Asked Questions

What is the IUPAC name of dichloromethane;N,N-diethylaniline?
The IUPAC name of dichloromethane;N,N-diethylaniline (CID 157472052) is dichloromethane;N,N-diethylaniline.
What is the SMILES notation for dichloromethane;N,N-diethylaniline?
The canonical SMILES for dichloromethane;N,N-diethylaniline is CCN(CC)c1ccccc1.ClCCl.
What is the InChIKey of dichloromethane;N,N-diethylaniline?
The InChIKey is BVDONZQCJZDZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.CH2Cl2/c1-3-11(4-2)10-8-6-5-7-9-10;2-1-3/h5-9H,3-4H2,1-2H3;1H2.
What are the key properties of dichloromethane;N,N-diethylaniline?
dichloromethane;N,N-diethylaniline has a molecular weight of 234.17 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;N,N-diethylaniline is sourced from PubChem (CID 157472052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).