4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine

C11H22ClNO2 — CID 106299681

IUPAC4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine
SMILESCCOCCCNC1(CCl)CCOCC1
InChIInChI=1S/C11H22ClNO2/c1-2-14-7-3-6-13-11(10-12)4-8-15-9-5-11/h13H,2-10H2,1H3
InChIKeySMXFSIQPAKZKBK-UHFFFAOYSA-N
MW235.75 g/mol
LogP1.79
Rot. Bonds7

About 4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine

4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine (PubChem CID 106299681) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine
PubChem CID106299681
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine
SMILESCCOCCCNC1(CCl)CCOCC1
InChIInChI=1S/C11H22ClNO2/c1-2-14-7-3-6-13-11(10-12)4-8-15-9-5-11/h13H,2-10H2,1H3
InChIKeySMXFSIQPAKZKBK-UHFFFAOYSA-N
XLogP1.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 51.79
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

4-(chloromethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 106299739
4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine
CID 106299759
4-(chloromethyl)-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 106299764
4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine
CID 106299797
4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 106299802
4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine
CID 106299904
4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
CID 106299988
4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine
CID 106300011
2-chloro-3-methoxy-N-(oxan-4-ylmethyl)propan-1-amine
CID 65023873
1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine
CID 65025269
1-chloro-4-methyl-N-(oxan-4-ylmethyl)pentan-2-amine
CID 65025433
1-chloro-N-(oxan-4-ylmethyl)propan-2-amine
CID 65026072

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine (CID 106299681) is 4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine is CCOCCCNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine?
The InChIKey is SMXFSIQPAKZKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-2-14-7-3-6-13-11(10-12)4-8-15-9-5-11/h13H,2-10H2,1H3.
What are the key properties of 4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine?
4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine has a molecular weight of 235.75 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine is sourced from PubChem (CID 106299681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).