2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine

C9H18ClNO — CID 61435409

IUPAC2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(CCCl)CC1CCCO1
InChIInChI=1S/C9H18ClNO/c1-2-11(6-5-10)8-9-4-3-7-12-9/h9H,2-8H2,1H3
InChIKeyBUTYARULGRYALT-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.73
Rot. Bonds5

About 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine

2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 61435409) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID61435409
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(CCCl)CC1CCCO1
InChIInChI=1S/C9H18ClNO/c1-2-11(6-5-10)8-9-4-3-7-12-9/h9H,2-8H2,1H3
InChIKeyBUTYARULGRYALT-UHFFFAOYSA-N
XLogP1.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine (CID 61435409) is 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine is CCN(CCCl)CC1CCCO1.
What is the InChIKey of 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is BUTYARULGRYALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-2-11(6-5-10)8-9-4-3-7-12-9/h9H,2-8H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine?
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 191.70 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 61435409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).