2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine

C16H22ClNO — CID 81209952

IUPAC2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine
SMILESCC1COC(CCl)CN1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H22ClNO/c1-12-11-19-16(8-17)10-18(12)9-13-5-6-14-3-2-4-15(14)7-13/h5-7,12,16H,2-4,8-11H2,1H3
InChIKeyZPXWHQXSOKZAJN-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.00
Rot. Bonds3

About 2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine

2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine (PubChem CID 81209952) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine
PubChem CID81209952
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine
SMILESCC1COC(CCl)CN1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H22ClNO/c1-12-11-19-16(8-17)10-18(12)9-13-5-6-14-3-2-4-15(14)7-13/h5-7,12,16H,2-4,8-11H2,1H3
InChIKeyZPXWHQXSOKZAJN-UHFFFAOYSA-N
XLogP3.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.00
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-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine
CID 81210281
4-[(4-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)-5-methylmorpholine
CID 114859370
[4-[(2-chloro-4-pyridinyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81203357
2-(chloromethyl)-4-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methylmorpholine
CID 81209834
2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane
CID 130592334
2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
CID 81210645
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzonitrile
CID 81203398
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperazine;hydrochloride
CID 119916469
2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine
CID 81209600
[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine
CID 83096056

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine (CID 81209952) is 2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine is CC1COC(CCl)CN1Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine?
The InChIKey is ZPXWHQXSOKZAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-12-11-19-16(8-17)10-18(12)9-13-5-6-14-3-2-4-15(14)7-13/h5-7,12,16H,2-4,8-11H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine?
2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine has a molecular weight of 279.81 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine is sourced from PubChem (CID 81209952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).