2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine

C16H22ClNO2 — CID 117476546

IUPAC2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine
SMILESCOc1c(C2CNCCO2)cc2c(c1Cl)CCCCC2
InChIInChI=1S/C16H22ClNO2/c1-19-16-13(14-10-18-7-8-20-14)9-11-5-3-2-4-6-12(11)15(16)17/h9,14,18H,2-8,10H2,1H3
InChIKeyUQAAWZBBEDJYFC-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.28
Rot. Bonds2

About 2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine

2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine (PubChem CID 117476546) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine.

Molecular Properties

Compound Name2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine
PubChem CID117476546
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine
SMILESCOc1c(C2CNCCO2)cc2c(c1Cl)CCCCC2
InChIInChI=1S/C16H22ClNO2/c1-19-16-13(14-10-18-7-8-20-14)9-11-5-3-2-4-6-12(11)15(16)17/h9,14,18H,2-8,10H2,1H3
InChIKeyUQAAWZBBEDJYFC-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine with MolForge

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Related Compounds

3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyrrolidine
CID 117449131
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570
2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
CID 117418762
2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine
CID 117406688
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)morpholine
CID 117432130
2-methoxy-5,6-dimethyl-3-morpholin-2-ylphenol
CID 117346862
3-morpholin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117338465
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine
CID 117432137
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893
2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
CID 115004626
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine?
The IUPAC name of 2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine (CID 117476546) is 2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine.
What is the SMILES notation for 2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine?
The canonical SMILES for 2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine is COc1c(C2CNCCO2)cc2c(c1Cl)CCCCC2.
What is the InChIKey of 2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine?
The InChIKey is UQAAWZBBEDJYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-19-16-13(14-10-18-7-8-20-14)9-11-5-3-2-4-6-12(11)15(16)17/h9,14,18H,2-8,10H2,1H3.
What are the key properties of 2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine?
2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine has a molecular weight of 295.81 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine is sourced from PubChem (CID 117476546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).