6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H20BrNO — CID 63499231

IUPAC6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2cc(OCc3ccccc3Br)ccc21
InChIInChI=1S/C18H20BrNO/c1-20-18-8-4-6-13-11-15(9-10-16(13)18)21-12-14-5-2-3-7-17(14)19/h2-3,5,7,9-11,18,20H,4,6,8,12H2,1H3
InChIKeyIDXLXLDCXDBHMY-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.62
Rot. Bonds4

About 6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 63499231) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID63499231
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2cc(OCc3ccccc3Br)ccc21
InChIInChI=1S/C18H20BrNO/c1-20-18-8-4-6-13-11-15(9-10-16(13)18)21-12-14-5-2-3-7-17(14)19/h2-3,5,7,9-11,18,20H,4,6,8,12H2,1H3
InChIKeyIDXLXLDCXDBHMY-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456121
5-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60644006
N-methyl-6-[(6-methyl-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79262644
5-[(2,3-difluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683246
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]cyclopentan-1-ol
CID 65210920
3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile
CID 107683551
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83912581
6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79167134
6-(3-methoxy-3-methylbutoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103032754
5-[(5-chloro-2-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683270
5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683254

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 63499231) is 6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2cc(OCc3ccccc3Br)ccc21.
What is the InChIKey of 6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is IDXLXLDCXDBHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-20-18-8-4-6-13-11-15(9-10-16(13)18)21-12-14-5-2-3-7-17(14)19/h2-3,5,7,9-11,18,20H,4,6,8,12H2,1H3.
What are the key properties of 6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 346.27 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63499231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).