2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine

C17H24ClNO — CID 102936725

IUPAC2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine
SMILESCC1CN(CC2CCCc3ccccc32)CC(CCl)O1
InChIInChI=1S/C17H24ClNO/c1-13-10-19(12-16(9-18)20-13)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8,13,15-16H,4,6-7,9-12H2,1H3
InChIKeyIRJKYYOGNDHEEA-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.43
Rot. Bonds3

About 2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine

2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine (PubChem CID 102936725) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine
PubChem CID102936725
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine
SMILESCC1CN(CC2CCCc3ccccc32)CC(CCl)O1
InChIInChI=1S/C17H24ClNO/c1-13-10-19(12-16(9-18)20-13)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8,13,15-16H,4,6-7,9-12H2,1H3
InChIKeyIRJKYYOGNDHEEA-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol
CID 102935829
3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
CID 63771318
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 64833584
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
CID 63772764
1-(2-bromoethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 80678906
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 55242278
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 44784874
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide
CID 77041361
N-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]ethanamine
CID 63854126
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 63772800
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine?
The IUPAC name of 2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine (CID 102936725) is 2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine is CC1CN(CC2CCCc3ccccc32)CC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine?
The InChIKey is IRJKYYOGNDHEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-13-10-19(12-16(9-18)20-13)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8,13,15-16H,4,6-7,9-12H2,1H3.
What are the key properties of 2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine?
2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine has a molecular weight of 293.84 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine is sourced from PubChem (CID 102936725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).