6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C18H20BrNO — CID 63627434

IUPAC6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(C)cc1NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H20BrNO/c1-12-3-8-18(21-2)17(9-12)20-16-7-5-13-10-15(19)6-4-14(13)11-16/h3-4,6,8-10,16,20H,5,7,11H2,1-2H3
InChIKeyRWQMDGXFNJOOSM-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.74
Rot. Bonds3

About 6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63627434) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63627434
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(C)cc1NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H20BrNO/c1-12-3-8-18(21-2)17(9-12)20-16-7-5-13-10-15(19)6-4-14(13)11-16/h3-4,6,8-10,16,20H,5,7,11H2,1-2H3
InChIKeyRWQMDGXFNJOOSM-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

Analyze 6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627261
6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627795
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol
CID 63625345
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpyridin-3-amine
CID 63626601
6-bromo-N-(2-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626750
6-bromo-N-(2,5-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626729
(2R)-N-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 31196228
4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
CID 106594504
6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626922

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63627434) is 6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc(C)cc1NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is RWQMDGXFNJOOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-12-3-8-18(21-2)17(9-12)20-16-7-5-13-10-15(19)6-4-14(13)11-16/h3-4,6,8-10,16,20H,5,7,11H2,1-2H3.
What are the key properties of 6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(2-methoxy-5-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-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63627434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).