4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine

C14H18ClNO3 — CID 134055216

IUPAC4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine
SMILESCC1CN(Cc2cc(Cl)c3c(c2)OCCO3)CCO1
InChIInChI=1S/C14H18ClNO3/c1-10-8-16(2-3-17-10)9-11-6-12(15)14-13(7-11)18-4-5-19-14/h6-7,10H,2-5,8-9H2,1H3
InChIKeyINKQJWWDZFGBGI-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.33
Rot. Bonds2

About 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine

4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine (PubChem CID 134055216) has the molecular formula C14H18ClNO3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine
PubChem CID134055216
Molecular FormulaC14H18ClNO3
Molecular Weight283.76 g/mol
Exact Mass283.10
IUPAC Name4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine
SMILESCC1CN(Cc2cc(Cl)c3c(c2)OCCO3)CCO1
InChIInChI=1S/C14H18ClNO3/c1-10-8-16(2-3-17-10)9-11-6-12(15)14-13(7-11)18-4-5-19-14/h6-7,10H,2-5,8-9H2,1H3
InChIKeyINKQJWWDZFGBGI-UHFFFAOYSA-N
XLogP2.33
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-3-amine
CID 62547412
1-[1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethanol
CID 103656892
1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-3-carboxylic acid
CID 43440847
1-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63264201
1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908936
2-[1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]azetidin-3-yl]propanoic acid
CID 116683956
(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-methyl-1,4-oxazepane
CID 99930964
[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961022
1-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 119922474
4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine
CID 43350266
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576615
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine
CID 65250202

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine?
The IUPAC name of 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine (CID 134055216) is 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine.
What is the SMILES notation for 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine?
The canonical SMILES for 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine is CC1CN(Cc2cc(Cl)c3c(c2)OCCO3)CCO1.
What is the InChIKey of 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine?
The InChIKey is INKQJWWDZFGBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10-8-16(2-3-17-10)9-11-6-12(15)14-13(7-11)18-4-5-19-14/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine?
4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine has a molecular weight of 283.76 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine is sourced from PubChem (CID 134055216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).