1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine

C7H14ClNO — CID 175367364

IUPAC1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine
SMILESC=CN(CCOC)C(C)Cl
InChIInChI=1S/C7H14ClNO/c1-4-9(7(2)8)5-6-10-3/h4,7H,1,5-6H2,2-3H3
InChIKeyUCTRBUVPMLHVMQ-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.66
Rot. Bonds5

About 1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine

1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine (PubChem CID 175367364) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine
PubChem CID175367364
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine
SMILESC=CN(CCOC)C(C)Cl
InChIInChI=1S/C7H14ClNO/c1-4-9(7(2)8)5-6-10-3/h4,7H,1,5-6H2,2-3H3
InChIKeyUCTRBUVPMLHVMQ-UHFFFAOYSA-N
XLogP1.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine (CID 175367364) is 1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine is C=CN(CCOC)C(C)Cl.
What is the InChIKey of 1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine?
The InChIKey is UCTRBUVPMLHVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-4-9(7(2)8)5-6-10-3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine?
1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine has a molecular weight of 163.65 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-ethenyl-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 175367364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).