(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

C18H19Br2N — CID 107126582

IUPAC(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1cc(Br)c(C(N)C2CCc3ccccc3C2)cc1Br
InChIInChI=1S/C18H19Br2N/c1-11-8-17(20)15(10-16(11)19)18(21)14-7-6-12-4-2-3-5-13(12)9-14/h2-5,8,10,14,18H,6-7,9,21H2,1H3
InChIKeyRGTXSFQDTNORJX-UHFFFAOYSA-N
MW409.17 g/mol
LogP5.32
Rot. Bonds2

About (2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 107126582) has the molecular formula C18H19Br2N and a molecular weight of 409.17 g/mol. Its IUPAC name is (2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
PubChem CID107126582
Molecular FormulaC18H19Br2N
Molecular Weight409.17 g/mol
Exact Mass406.99
IUPAC Name(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1cc(Br)c(C(N)C2CCc3ccccc3C2)cc1Br
InChIInChI=1S/C18H19Br2N/c1-11-8-17(20)15(10-16(11)19)18(21)14-7-6-12-4-2-3-5-13(12)9-14/h2-5,8,10,14,18H,6-7,9,21H2,1H3
InChIKeyRGTXSFQDTNORJX-UHFFFAOYSA-N
XLogP5.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.17
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126557
1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine
CID 107126496
(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 102832882
(5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79743119
(5-methylfuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126532
(2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126530
1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 106892754
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892723
(5-methyl-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115374693
(2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126524
2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107127472
2,3-dihydro-1H-inden-5-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126500

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of (2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (CID 107126582) is (2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for (2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is Cc1cc(Br)c(C(N)C2CCc3ccccc3C2)cc1Br.
What is the InChIKey of (2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is RGTXSFQDTNORJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2N/c1-11-8-17(20)15(10-16(11)19)18(21)14-7-6-12-4-2-3-5-13(12)9-14/h2-5,8,10,14,18H,6-7,9,21H2,1H3.
What are the key properties of (2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 409.17 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 107126582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).