1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine

C20H25N — CID 107126496

IUPAC1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CCc3ccccc3C2)c(C)c1
InChIInChI=1S/C20H25N/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,8-9,12,21H2,1-3H3
InChIKeyVYFJMJODFOJERS-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.42
Rot. Bonds2

About 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine

1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine (PubChem CID 107126496) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine
PubChem CID107126496
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CCc3ccccc3C2)c(C)c1
InChIInChI=1S/C20H25N/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,8-9,12,21H2,1-3H3
InChIKeyVYFJMJODFOJERS-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107127472
(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126582
(5-methyl-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115374693
(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126557
(5-methylfuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126532
(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 102832882
2-(2,5-dimethylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65405157
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
2,3-dihydro-1H-inden-5-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126500
2-(4-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404581
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine (CID 107126496) is 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)C2CCc3ccccc3C2)c(C)c1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is VYFJMJODFOJERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/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,8-9,12,21H2,1-3H3.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine?
1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 279.43 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 107126496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).