2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine

C14H29ClN2O — CID 114164317

IUPAC2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine
SMILESCCN1CCOC(CNCC(CC)(CC)CCl)C1
InChIInChI=1S/C14H29ClN2O/c1-4-14(5-2,11-15)12-16-9-13-10-17(6-3)7-8-18-13/h13,16H,4-12H2,1-3H3
InChIKeyMNCLCTKLEDGKPP-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.34
Rot. Bonds8

About 2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine

2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine (PubChem CID 114164317) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine
PubChem CID114164317
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine
SMILESCCN1CCOC(CNCC(CC)(CC)CCl)C1
InChIInChI=1S/C14H29ClN2O/c1-4-14(5-2,11-15)12-16-9-13-10-17(6-3)7-8-18-13/h13,16H,4-12H2,1-3H3
InChIKeyMNCLCTKLEDGKPP-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115363535
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 114399765
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 79165106
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
2-cyclohexyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79163993
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
CID 114399810
N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 79165979
2-[(4-ethylmorpholin-2-yl)methyl]-1,1-dimethylhydrazine
CID 83013622
2-[(4-ethylmorpholin-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009171
N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526746

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine?
The IUPAC name of 2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine (CID 114164317) is 2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine is CCN1CCOC(CNCC(CC)(CC)CCl)C1.
What is the InChIKey of 2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine?
The InChIKey is MNCLCTKLEDGKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29ClN2O/c1-4-14(5-2,11-15)12-16-9-13-10-17(6-3)7-8-18-13/h13,16H,4-12H2,1-3H3.
What are the key properties of 2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine?
2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine has a molecular weight of 276.85 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 114164317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).