2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene

C20H23Br — CID 107127472

IUPAC2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1cc(C)c(C(Br)C2CCc3ccccc3C2)c(C)c1
InChIInChI=1S/C20H23Br/c1-13-10-14(2)19(15(3)11-13)20(21)18-9-8-16-6-4-5-7-17(16)12-18/h4-7,10-11,18,20H,8-9,12H2,1-3H3
InChIKeyMAPUVWIDAFSVAH-UHFFFAOYSA-N
MW343.31 g/mol
LogP5.85
Rot. Bonds2

About 2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene

2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 107127472) has the molecular formula C20H23Br and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID107127472
Molecular FormulaC20H23Br
Molecular Weight343.31 g/mol
Exact Mass342.10
IUPAC Name2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1cc(C)c(C(Br)C2CCc3ccccc3C2)c(C)c1
InChIInChI=1S/C20H23Br/c1-13-10-14(2)19(15(3)11-13)20(21)18-9-8-16-6-4-5-7-17(16)12-18/h4-7,10-11,18,20H,8-9,12H2,1-3H3
InChIKeyMAPUVWIDAFSVAH-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.31
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine
CID 107126496
2-[bromo-(4-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107127474
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
2-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107127485
(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126582
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79697550
2-(2,5-dimethylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65405157
[(3-fluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]hydrazine
CID 105234720
(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126557
(5-methyl-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115374693
(5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107127395
2-(4-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404581

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 107127472) is 2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene is Cc1cc(C)c(C(Br)C2CCc3ccccc3C2)c(C)c1.
What is the InChIKey of 2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MAPUVWIDAFSVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Br/c1-13-10-14(2)19(15(3)11-13)20(21)18-9-8-16-6-4-5-7-17(16)12-18/h4-7,10-11,18,20H,8-9,12H2,1-3H3.
What are the key properties of 2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 343.31 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 107127472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).