6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C17H24BrNO — CID 103903298

IUPAC6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC1(CNC2CCc3cc(Br)ccc3C2)CCOCC1
InChIInChI=1S/C17H24BrNO/c1-17(6-8-20-9-7-17)12-19-16-5-3-13-10-15(18)4-2-14(13)11-16/h2,4,10,16,19H,3,5-9,11-12H2,1H3
InChIKeyPFZKYAZBOAJESE-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.71
Rot. Bonds3

About 6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 103903298) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID103903298
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC1(CNC2CCc3cc(Br)ccc3C2)CCOCC1
InChIInChI=1S/C17H24BrNO/c1-17(6-8-20-9-7-17)12-19-16-5-3-13-10-15(18)4-2-14(13)11-16/h2,4,10,16,19H,3,5-9,11-12H2,1H3
InChIKeyPFZKYAZBOAJESE-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 105414711
1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol
CID 65107128
6-bromo-N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625878
6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625332
1-N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 63626053
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoic acid
CID 63627449
6-bromo-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627115
6-methyl-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103903344
6-bromo-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55248067
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625881
6-bromo-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627799
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 115920101

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 103903298) is 6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is CC1(CNC2CCc3cc(Br)ccc3C2)CCOCC1.
What is the InChIKey of 6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is PFZKYAZBOAJESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-17(6-8-20-9-7-17)12-19-16-5-3-13-10-15(18)4-2-14(13)11-16/h2,4,10,16,19H,3,5-9,11-12H2,1H3.
What are the key properties of 6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 338.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 103903298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).