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

C18H20BrNO — CID 63627297

IUPAC6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(NC2CCc3cc(Br)ccc3C2)c(C)c1
InChIInChI=1S/C18H20BrNO/c1-12-9-17(21-2)7-8-18(12)20-16-6-4-13-10-15(19)5-3-14(13)11-16/h3,5,7-10,16,20H,4,6,11H2,1-2H3
InChIKeyIXMZYWHLLSVUAI-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.74
Rot. Bonds3

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

6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63627297) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63627297
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(NC2CCc3cc(Br)ccc3C2)c(C)c1
InChIInChI=1S/C18H20BrNO/c1-12-9-17(21-2)7-8-18(12)20-16-6-4-13-10-15(19)5-3-14(13)11-16/h3,5,7-10,16,20H,4,6,11H2,1-2H3
InChIKeyIXMZYWHLLSVUAI-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.74
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-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627261
6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627434
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol
CID 63625345
6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627795
5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349039
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine
CID 63626601
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 2846354
N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide
CID 66663510
N-[3-(4-bromophenyl)cyclobutyl]-4-methoxy-2-methylaniline
CID 63477720
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63627297) is 6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc(NC2CCc3cc(Br)ccc3C2)c(C)c1.
What is the InChIKey of 6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is IXMZYWHLLSVUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-12-9-17(21-2)7-8-18(12)20-16-6-4-13-10-15(19)5-3-14(13)11-16/h3,5,7-10,16,20H,4,6,11H2,1-2H3.
What are the key properties of 6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 346.27 g/mol, XLogP of 4.74, 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-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63627297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).