3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine

C9H20ClNO2 — CID 596220

IUPAC3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine
SMILESCOCCN(CCCCl)CCOC
InChIInChI=1S/C9H20ClNO2/c1-12-8-6-11(5-3-4-10)7-9-13-2/h3-9H2,1-2H3
InChIKeyZLLPKVOYKHIVOK-UHFFFAOYSA-N
MW209.72 g/mol
LogP1.21
Rot. Bonds9

About 3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine

3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine (PubChem CID 596220) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine
PubChem CID596220
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Name3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine
SMILESCOCCN(CCCCl)CCOC
InChIInChI=1S/C9H20ClNO2/c1-12-8-6-11(5-3-4-10)7-9-13-2/h3-9H2,1-2H3
InChIKeyZLLPKVOYKHIVOK-UHFFFAOYSA-N
XLogP1.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine (CID 596220) is 3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine is COCCN(CCCCl)CCOC.
What is the InChIKey of 3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine?
The InChIKey is ZLLPKVOYKHIVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO2/c1-12-8-6-11(5-3-4-10)7-9-13-2/h3-9H2,1-2H3.
What are the key properties of 3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine?
3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine has a molecular weight of 209.72 g/mol, XLogP of 1.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-bis(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 596220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).