2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine

C11H24ClNO2 — CID 107155875

IUPAC2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine
SMILESCOCCOCCNCC(Cl)CC(C)C
InChIInChI=1S/C11H24ClNO2/c1-10(2)8-11(12)9-13-4-5-15-7-6-14-3/h10-11,13H,4-9H2,1-3H3
InChIKeyWSAHOTLOZSCQDZ-UHFFFAOYSA-N
MW237.77 g/mol
LogP1.89
Rot. Bonds10

About 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine

2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine (PubChem CID 107155875) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine
PubChem CID107155875
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Name2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine
SMILESCOCCOCCNCC(Cl)CC(C)C
InChIInChI=1S/C11H24ClNO2/c1-10(2)8-11(12)9-13-4-5-15-7-6-14-3/h10-11,13H,4-9H2,1-3H3
InChIKeyWSAHOTLOZSCQDZ-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
CID 104562209
3-chloro-4-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]butan-1-amine
CID 106242330
1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 104562097
2-chloro-2-cyclopropyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104567217
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457838
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104567151
2,2-dicyclopropyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104562462
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine?
The IUPAC name of 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine (CID 107155875) is 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine.
What is the SMILES notation for 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine?
The canonical SMILES for 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine is COCCOCCNCC(Cl)CC(C)C.
What is the InChIKey of 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine?
The InChIKey is WSAHOTLOZSCQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2/c1-10(2)8-11(12)9-13-4-5-15-7-6-14-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine?
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine is sourced from PubChem (CID 107155875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).