8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C11H14ClNO — CID 157083464

IUPAC8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCONC1CCCc2cccc(Cl)c21
InChIInChI=1S/C11H14ClNO/c1-14-13-10-7-3-5-8-4-2-6-9(12)11(8)10/h2,4,6,10,13H,3,5,7H2,1H3
InChIKeyWZDBHEUVZHKPGU-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.87
Rot. Bonds2

About 8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 157083464) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID157083464
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCONC1CCCc2cccc(Cl)c21
InChIInChI=1S/C11H14ClNO/c1-14-13-10-7-3-5-8-4-2-6-9(12)11(8)10/h2,4,6,10,13H,3,5,7H2,1H3
InChIKeyWZDBHEUVZHKPGU-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059
(1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 142637843
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
8-chloro-1-isocyanato-1,2,3,4-tetrahydronaphthalene
CID 83833988
2-(2-chlorophenyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100633564
1-(methoxyamino)-2,3-dihydro-1H-inden-5-ol
CID 103847278
8-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105445416
(3S)-N-[(1R)-8-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
CID 71699647
(1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol
CID 134294877
1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 105449608
6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one
CID 104818738
N-(3-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43094337

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 157083464) is 8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is CONC1CCCc2cccc(Cl)c21.
What is the InChIKey of 8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WZDBHEUVZHKPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-14-13-10-7-3-5-8-4-2-6-9(12)11(8)10/h2,4,6,10,13H,3,5,7H2,1H3.
What are the key properties of 8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 211.69 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 157083464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).