[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone

C14H18ClNO2 — CID 114781210

IUPAC[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
SMILESCC1(C)CN(C(=O)c2ccccc2)CC(CCl)O1
InChIInChI=1S/C14H18ClNO2/c1-14(2)10-16(9-12(8-15)18-14)13(17)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyWUZQWVFUTWOHEM-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.55
Rot. Bonds2

About [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone (PubChem CID 114781210) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
PubChem CID114781210
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
SMILESCC1(C)CN(C(=O)c2ccccc2)CC(CCl)O1
InChIInChI=1S/C14H18ClNO2/c1-14(2)10-16(9-12(8-15)18-14)13(17)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyWUZQWVFUTWOHEM-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.55
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

[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781933
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-chloro-4-methylphenyl)methanone
CID 114781128
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(4-chloro-3-methylphenyl)methanone
CID 114781262
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3-dihydroxyphenyl)methanone
CID 114781203
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 114777024
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 114781299
(2-bromo-6-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781263
2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
CID 114776496
(4-ethylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778923
(5-chloro-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781270
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
CID 114781198

Frequently Asked Questions

What is the IUPAC name of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone?
The IUPAC name of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone (CID 114781210) is [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone?
The canonical SMILES for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone is CC1(C)CN(C(=O)c2ccccc2)CC(CCl)O1.
What is the InChIKey of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone?
The InChIKey is WUZQWVFUTWOHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-14(2)10-16(9-12(8-15)18-14)13(17)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3.
What are the key properties of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone?
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone has a molecular weight of 267.76 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 114781210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).