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

C8H16ClNO — CID 61436036

IUPAC2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
SMILESCN(CCCl)CC1CCCO1
InChIInChI=1S/C8H16ClNO/c1-10(5-4-9)7-8-3-2-6-11-8/h8H,2-7H2,1H3
InChIKeyAENFEBNECCWBQU-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.34
Rot. Bonds4

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

2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 61436036) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID61436036
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
SMILESCN(CCCl)CC1CCCO1
InChIInChI=1S/C8H16ClNO/c1-10(5-4-9)7-8-3-2-6-11-8/h8H,2-7H2,1H3
InChIKeyAENFEBNECCWBQU-UHFFFAOYSA-N
XLogP1.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.34
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-(oxolan-2-ylmethyl)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

N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
N-(2-chloroethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
3-[methyl(oxan-2-ylmethyl)amino]propanenitrile
CID 43403608
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 63388993
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 63388013
6-[methyl(oxan-2-ylmethyl)amino]hexan-1-ol
CID 103737833
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine (CID 61436036) is 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine is CN(CCCl)CC1CCCO1.
What is the InChIKey of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is AENFEBNECCWBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-10(5-4-9)7-8-3-2-6-11-8/h8H,2-7H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine?
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 177.67 g/mol, XLogP of 1.34, 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-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 61436036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).