dichloromethane;naphthalen-1-amine

C11H11Cl2N — CID 174958204

IUPACdichloromethane;naphthalen-1-amine
SMILESClCCl.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.CH2Cl2/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1-3/h1-7H,11H2;1H2
InChIKeyDZPZZKJHZCYNML-UHFFFAOYSA-N
MW228.12 g/mol
LogP3.84
Rot. Bonds

About dichloromethane;naphthalen-1-amine

dichloromethane;naphthalen-1-amine (PubChem CID 174958204) has the molecular formula C11H11Cl2N and a molecular weight of 228.12 g/mol. Its IUPAC name is dichloromethane;naphthalen-1-amine.

Molecular Properties

Compound Namedichloromethane;naphthalen-1-amine
PubChem CID174958204
Molecular FormulaC11H11Cl2N
Molecular Weight228.12 g/mol
Exact Mass227.03
IUPAC Namedichloromethane;naphthalen-1-amine
SMILESClCCl.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.CH2Cl2/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1-3/h1-7H,11H2;1H2
InChIKeyDZPZZKJHZCYNML-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 135259743
CID 135259743
azane;naphthalen-1-amine;dihydrochloride
CID 142719941
naphthalen-1-amine;1,3,5,2,4,6-triazatriphosphinane
CID 175083244
diazene;naphthalen-1-amine
CID 142081772
naphthalen-1-amine;naphthalen-2-amine
CID 70377972
formic acid;naphthalen-1-amine
CID 174286759
methylsulfonylmethane;naphthalen-1-amine
CID 158608928
naphthalen-1-amine;phenylmethanamine
CID 23298608
diphenyldiazene;naphthalen-1-amine
CID 159387194
hydrogen sulfite;naphthalen-1-amine
CID 174331156
naphthalen-1-amine;2-phenylethanamine
CID 175144092
naphthalen-1-amine;trifluoromethanesulfonic acid
CID 175237675

Frequently Asked Questions

What is the IUPAC name of dichloromethane;naphthalen-1-amine?
The IUPAC name of dichloromethane;naphthalen-1-amine (CID 174958204) is dichloromethane;naphthalen-1-amine.
What is the SMILES notation for dichloromethane;naphthalen-1-amine?
The canonical SMILES for dichloromethane;naphthalen-1-amine is ClCCl.Nc1cccc2ccccc12.
What is the InChIKey of dichloromethane;naphthalen-1-amine?
The InChIKey is DZPZZKJHZCYNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.CH2Cl2/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1-3/h1-7H,11H2;1H2.
What are the key properties of dichloromethane;naphthalen-1-amine?
dichloromethane;naphthalen-1-amine has a molecular weight of 228.12 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;naphthalen-1-amine is sourced from PubChem (CID 174958204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).