4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine

C13H17Cl2NO — CID 114846280

IUPAC4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
SMILESCC1CN(c2cc(Cl)ccc2CCl)CC(C)O1
InChIInChI=1S/C13H17Cl2NO/c1-9-7-16(8-10(2)17-9)13-5-12(15)4-3-11(13)6-14/h3-5,9-10H,6-8H2,1-2H3
InChIKeyZHPNFTJCYUTDOC-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.69
Rot. Bonds2

About 4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine

4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine (PubChem CID 114846280) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
PubChem CID114846280
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
SMILESCC1CN(c2cc(Cl)ccc2CCl)CC(C)O1
InChIInChI=1S/C13H17Cl2NO/c1-9-7-16(8-10(2)17-9)13-5-12(15)4-3-11(13)6-14/h3-5,9-10H,6-8H2,1-2H3
InChIKeyZHPNFTJCYUTDOC-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.69
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

2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 104980221
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
CID 28820003
4-[5-chloro-2-(chloromethyl)phenyl]-2-ethylmorpholine
CID 114846398
[4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine
CID 82299005
2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole
CID 114846605
1-[5-chloro-2-(chloromethyl)phenyl]-4-propan-2-ylpiperazine
CID 114846416
4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine
CID 114846844
4-[4-chloro-2-(chloromethyl)phenyl]-2,6-dimethylthiomorpholine
CID 114846712
(2R,6S)-4-[5-bromo-2-(bromomethyl)phenyl]-2,6-dimethylmorpholine
CID 107085389
1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine
CID 114846746
1-[5-chloro-2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 114846658
(2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine
CID 8000509

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine (CID 114846280) is 4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine is CC1CN(c2cc(Cl)ccc2CCl)CC(C)O1.
What is the InChIKey of 4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine?
The InChIKey is ZHPNFTJCYUTDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-9-7-16(8-10(2)17-9)13-5-12(15)4-3-11(13)6-14/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine?
4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine has a molecular weight of 274.19 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 114846280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).