6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C17H18BrNO — CID 63627261

IUPAC6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(NC2CCc3cc(Br)ccc3C2)cc1
InChIInChI=1S/C17H18BrNO/c1-20-17-8-6-15(7-9-17)19-16-5-3-12-10-14(18)4-2-13(12)11-16/h2,4,6-10,16,19H,3,5,11H2,1H3
InChIKeyUFFWHNNBBMRTLY-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.43
Rot. Bonds3

About 6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63627261) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63627261
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(NC2CCc3cc(Br)ccc3C2)cc1
InChIInChI=1S/C17H18BrNO/c1-20-17-8-6-15(7-9-17)19-16-5-3-12-10-14(18)4-2-13(12)11-16/h2,4,6-10,16,19H,3,5,11H2,1H3
InChIKeyUFFWHNNBBMRTLY-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627297
6-bromo-N-(3-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627787
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide
CID 66663510
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-amine
CID 107587740
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine
CID 63627087
6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627434
6-bromo-N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625335
2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 146097580
6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627795
[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]hydrazine
CID 124537599
6-bromo-N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 65469337

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63627261) is 6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc(NC2CCc3cc(Br)ccc3C2)cc1.
What is the InChIKey of 6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UFFWHNNBBMRTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-20-17-8-6-15(7-9-17)19-16-5-3-12-10-14(18)4-2-13(12)11-16/h2,4,6-10,16,19H,3,5,11H2,1H3.
What are the key properties of 6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 332.24 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63627261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).