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

C19H22BrN — CID 63626584

IUPAC6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCc1cccc(C)c1NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C19H22BrN/c1-3-14-6-4-5-13(2)19(14)21-18-10-8-15-11-17(20)9-7-16(15)12-18/h4-7,9,11,18,21H,3,8,10,12H2,1-2H3
InChIKeyXZIUAVIRYSXUQH-UHFFFAOYSA-N
MW344.30 g/mol
LogP5.29
Rot. Bonds3

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

6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63626584) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63626584
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCc1cccc(C)c1NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C19H22BrN/c1-3-14-6-4-5-13(2)19(14)21-18-10-8-15-11-17(20)9-7-16(15)12-18/h4-7,9,11,18,21H,3,8,10,12H2,1-2H3
InChIKeyXZIUAVIRYSXUQH-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-N-(2-ethyl-6-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

N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 63448687
6-bromo-N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 65469337
6-bromo-N-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82799779
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793
N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
6-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82731848
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,6-dimethylphenol
CID 63625345
2-ethyl-N-(4-methoxycyclohexyl)-6-methylaniline
CID 113414373
6-bromo-N-(5-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627795
6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81354123
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63626584) is 6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CCc1cccc(C)c1NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is XZIUAVIRYSXUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-3-14-6-4-5-13(2)19(14)21-18-10-8-15-11-17(20)9-7-16(15)12-18/h4-7,9,11,18,21H,3,8,10,12H2,1-2H3.
What are the key properties of 6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 344.30 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63626584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).