4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine

C12H24ClNO3 — CID 106299632

IUPAC4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
SMILESCOCCCOCCNC1(CCl)CCOCC1
InChIInChI=1S/C12H24ClNO3/c1-15-6-2-7-16-10-5-14-12(11-13)3-8-17-9-4-12/h14H,2-11H2,1H3
InChIKeyMWKHTCVPHMHSKX-UHFFFAOYSA-N
MW265.78 g/mol
LogP1.42
Rot. Bonds9

About 4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine

4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine (PubChem CID 106299632) has the molecular formula C12H24ClNO3 and a molecular weight of 265.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
PubChem CID106299632
Molecular FormulaC12H24ClNO3
Molecular Weight265.78 g/mol
Exact Mass265.14
IUPAC Name4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
SMILESCOCCCOCCNC1(CCl)CCOCC1
InChIInChI=1S/C12H24ClNO3/c1-15-6-2-7-16-10-5-14-12(11-13)3-8-17-9-4-12/h14H,2-11H2,1H3
InChIKeyMWKHTCVPHMHSKX-UHFFFAOYSA-N
XLogP1.42
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
CID 106299988
1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine
CID 104567212
1-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexan-1-amine
CID 103183987
4-(chloromethyl)-N-(2-methylsulfanylethyl)oxan-4-amine
CID 106299922
4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine
CID 62539718
4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine
CID 106299611
4-(chloromethyl)-N-heptyloxan-4-amine
CID 106299724
1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine
CID 104649733
4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine
CID 106300011
N-[2-(3-methoxypropoxy)ethyl]-1-methylcyclopentan-1-amine
CID 103178720
4-(chloromethyl)-N-(3-pyrrolidin-1-ylpropyl)oxan-4-amine
CID 106299940
1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine
CID 103413064

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine (CID 106299632) is 4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine is COCCCOCCNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine?
The InChIKey is MWKHTCVPHMHSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO3/c1-15-6-2-7-16-10-5-14-12(11-13)3-8-17-9-4-12/h14H,2-11H2,1H3.
What are the key properties of 4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine?
4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine has a molecular weight of 265.78 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 106299632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).