2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine

C9H18ClNO — CID 103139732

IUPAC2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CN(C)CCCl)O1
InChIInChI=1S/C9H18ClNO/c1-8-3-4-9(12-8)7-11(2)6-5-10/h8-9H,3-7H2,1-2H3
InChIKeyGLJWCJHSWIQOFT-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.72
Rot. Bonds4

About 2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine

2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 103139732) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID103139732
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CN(C)CCCl)O1
InChIInChI=1S/C9H18ClNO/c1-8-3-4-9(12-8)7-11(2)6-5-10/h8-9H,3-7H2,1-2H3
InChIKeyGLJWCJHSWIQOFT-UHFFFAOYSA-N
XLogP1.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-[[(2S,5S)-5-methyloxolan-2-yl]methyl]azanium
CID 10103411
Furfurylamine, tetrahydro-N,N-bis(2-chloroethyl)-
CID 45696
Furfurylamine, tetrahydro-N,N-bis(2-chloroethyl)-, hydrochloride
CID 49648
N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 10998362
N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine
CID 107487790
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2-difluoroethanamine
CID 107487840
N-(2-chloroethyl)-2,2-difluoro-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 107488113
N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine
CID 107488716
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488799
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 107489199
N,N-Diethyltetrahydro-2-furanmethanamine
CID 44719065
N-Methyl-N-((tetrahydrofuran-2-yl)methyl)ethanamine
CID 45087982

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of 2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine (CID 103139732) is 2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for 2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine is CC1CCC(CN(C)CCCl)O1.
What is the InChIKey of 2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is GLJWCJHSWIQOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-8-3-4-9(12-8)7-11(2)6-5-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 191.70 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 103139732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).