N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine

C10H20ClNO — CID 115215246

IUPACN-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCN(CCCl)CCC1CCOCC1
InChIInChI=1S/C10H20ClNO/c1-12(7-5-11)6-2-10-3-8-13-9-4-10/h10H,2-9H2,1H3
InChIKeyOGTASGWJBSVHFN-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.97
Rot. Bonds5

About N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine

N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine (PubChem CID 115215246) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine
PubChem CID115215246
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCN(CCCl)CCC1CCOCC1
InChIInChI=1S/C10H20ClNO/c1-12(7-5-11)6-2-10-3-8-13-9-4-10/h10H,2-9H2,1H3
InChIKeyOGTASGWJBSVHFN-UHFFFAOYSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one
CID 115235227
4-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239955
N-(chloromethyl)-2-cyclobutyl-N-methylethanamine
CID 115263599
N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209752
methyl 4-[methyl-[2-(oxan-4-yl)ethyl]amino]butanoate
CID 115233530
3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115163624
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine
CID 79615063
N-methyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine
CID 115118538
N-(2-chloroethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine
CID 169307485
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
3-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]butanoic acid
CID 115241885

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine (CID 115215246) is N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine is CN(CCCl)CCC1CCOCC1.
What is the InChIKey of N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine?
The InChIKey is OGTASGWJBSVHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-12(7-5-11)6-2-10-3-8-13-9-4-10/h10H,2-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine?
N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine has a molecular weight of 205.73 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115215246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).