2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine

C11H24ClNO — CID 106286235

IUPAC2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine
SMILESCCOCCNCC(Cl)C(CC)CC
InChIInChI=1S/C11H24ClNO/c1-4-10(5-2)11(12)9-13-7-8-14-6-3/h10-11,13H,4-9H2,1-3H3
InChIKeyYLNVEHJDLAXNRA-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.66
Rot. Bonds9

About 2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine

2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine (PubChem CID 106286235) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine
PubChem CID106286235
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC Name2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine
SMILESCCOCCNCC(Cl)C(CC)CC
InChIInChI=1S/C11H24ClNO/c1-4-10(5-2)11(12)9-13-7-8-14-6-3/h10-11,13H,4-9H2,1-3H3
InChIKeyYLNVEHJDLAXNRA-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine
CID 146439046
4-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 66092491
4-chloro-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 80308077
4-chloro-2-ethyl-N-[2-(trifluoromethoxy)ethyl]butan-1-amine
CID 80314300
2-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]pentan-1-amine
CID 106117114
2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106117233
5-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106153053
5-chloro-4-methyl-N-[2-(trifluoromethoxy)ethyl]pentan-1-amine
CID 106153289
2-chloro-3-ethyl-N-[2-(trifluoromethoxy)ethyl]pentan-1-amine
CID 106286312
2-chloro-3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106286607
2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 107155869
2-chloro-4-methyl-N-[2-(trifluoromethoxy)ethyl]pentan-1-amine
CID 107155946

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine?
The IUPAC name of 2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine (CID 106286235) is 2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine.
What is the SMILES notation for 2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine?
The canonical SMILES for 2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine is CCOCCNCC(Cl)C(CC)CC.
What is the InChIKey of 2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine?
The InChIKey is YLNVEHJDLAXNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO/c1-4-10(5-2)11(12)9-13-7-8-14-6-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine?
2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine has a molecular weight of 221.77 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxyethyl)-3-ethylpentan-1-amine is sourced from PubChem (CID 106286235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).