1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

C13H18ClNO2 — CID 117392757

IUPAC1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCONCc1c(C)c2c(c(Cl)c1O)CCCC2
InChIInChI=1S/C13H18ClNO2/c1-8-9-5-3-4-6-10(9)12(14)13(16)11(8)7-15-17-2/h15-16H,3-7H2,1-2H3
InChIKeyFYVQMIQFBSTBDO-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.88
Rot. Bonds3

About 1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117392757) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117392757
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCONCc1c(C)c2c(c(Cl)c1O)CCCC2
InChIInChI=1S/C13H18ClNO2/c1-8-9-5-3-4-6-10(9)12(14)13(16)11(8)7-15-17-2/h15-16H,3-7H2,1-2H3
InChIKeyFYVQMIQFBSTBDO-UHFFFAOYSA-N
XLogP2.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-methyl-3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117387833
4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol
CID 117366782
6-chloro-2-[(methoxyamino)methyl]-3-methylphenol
CID 117290479
4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol
CID 117283819
2-(4-chloro-3-hydroxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoacetic acid
CID 117425126
1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine
CID 117288952
2-(4-chloro-3-hydroxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117425370
1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine
CID 117292243
2-amino-2-(4-chloro-3-hydroxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
CID 117427442
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117331664
2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol
CID 117299228
2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 117425605

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117392757) is 1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is CONCc1c(C)c2c(c(Cl)c1O)CCCC2.
What is the InChIKey of 1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is FYVQMIQFBSTBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-8-9-5-3-4-6-10(9)12(14)13(16)11(8)7-15-17-2/h15-16H,3-7H2,1-2H3.
What are the key properties of 1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 255.74 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117392757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).