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

C12H24ClNO2 — CID 102637431

IUPAC2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine
SMILESCOCCOCCN(C)C1CCCCC1Cl
InChIInChI=1S/C12H24ClNO2/c1-14(7-8-16-10-9-15-2)12-6-4-3-5-11(12)13/h11-12H,3-10H2,1-2H3
InChIKeyNPYLPJLHYLDGCK-UHFFFAOYSA-N
MW249.78 g/mol
LogP2.13
Rot. Bonds7

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

2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine (PubChem CID 102637431) has the molecular formula C12H24ClNO2 and a molecular weight of 249.78 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine
PubChem CID102637431
Molecular FormulaC12H24ClNO2
Molecular Weight249.78 g/mol
Exact Mass249.15
IUPAC Name2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine
SMILESCOCCOCCN(C)C1CCCCC1Cl
InChIInChI=1S/C12H24ClNO2/c1-14(7-8-16-10-9-15-2)12-6-4-3-5-11(12)13/h11-12H,3-10H2,1-2H3
InChIKeyNPYLPJLHYLDGCK-UHFFFAOYSA-N
XLogP2.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 52.13
H-Bond Donors ≤ 50
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

2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 106457899
trans-(1R,2R)-2-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 104954570
2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylcyclohexan-1-amine
CID 102637557
2-N-(2-methoxyethyl)-2-N-methylcyclooctane-1,2-diamine
CID 61427471
2-chloro-N-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 102637401
N-[2-[2-[cyclopentyl(methyl)amino]ethoxy]ethyl]-N-methylcyclopentanamine
CID 178121516
4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one
CID 79120597
2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine
CID 102639927
N'-cyclopentyl-N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 104561146
2-N-(3-methoxypropyl)-2-N-methylcyclododecane-1,2-diamine
CID 63468227
2-N-(3-methoxypropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 62983959
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine
CID 62984804

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine (CID 102637431) is 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine is COCCOCCN(C)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine?
The InChIKey is NPYLPJLHYLDGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2/c1-14(7-8-16-10-9-15-2)12-6-4-3-5-11(12)13/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine?
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine has a molecular weight of 249.78 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methoxyethoxy)ethyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102637431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).