chloromethylbenzene;N-methylmethanamine

C9H14ClN — CID 21478070

IUPACchloromethylbenzene;N-methylmethanamine
SMILESCNC.ClCc1ccccc1
InChIInChI=1S/C7H7Cl.C2H7N/c8-6-7-4-2-1-3-5-7;1-3-2/h1-5H,6H2;3H,1-2H3
InChIKeyXIOSGSBYUMGJAV-UHFFFAOYSA-N
MW171.67 g/mol
LogP2.26
Rot. Bonds1

About chloromethylbenzene;N-methylmethanamine

chloromethylbenzene;N-methylmethanamine (PubChem CID 21478070) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is chloromethylbenzene;N-methylmethanamine.

Molecular Properties

Compound Namechloromethylbenzene;N-methylmethanamine
PubChem CID21478070
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Namechloromethylbenzene;N-methylmethanamine
SMILESCNC.ClCc1ccccc1
InChIInChI=1S/C7H7Cl.C2H7N/c8-6-7-4-2-1-3-5-7;1-3-2/h1-5H,6H2;3H,1-2H3
InChIKeyXIOSGSBYUMGJAV-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 52.26
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 chloromethylbenzene;N-methylmethanamine?
The IUPAC name of chloromethylbenzene;N-methylmethanamine (CID 21478070) is chloromethylbenzene;N-methylmethanamine.
What is the SMILES notation for chloromethylbenzene;N-methylmethanamine?
The canonical SMILES for chloromethylbenzene;N-methylmethanamine is CNC.ClCc1ccccc1.
What is the InChIKey of chloromethylbenzene;N-methylmethanamine?
The InChIKey is XIOSGSBYUMGJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.C2H7N/c8-6-7-4-2-1-3-5-7;1-3-2/h1-5H,6H2;3H,1-2H3.
What are the key properties of chloromethylbenzene;N-methylmethanamine?
chloromethylbenzene;N-methylmethanamine has a molecular weight of 171.67 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylbenzene;N-methylmethanamine is sourced from PubChem (CID 21478070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).