5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H20BrNO — CID 65454420

IUPAC5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c(OCc3cccc(Br)c3)cccc21
InChIInChI=1S/C18H20BrNO/c1-20-17-9-3-8-16-15(17)7-4-10-18(16)21-12-13-5-2-6-14(19)11-13/h2,4-7,10-11,17,20H,3,8-9,12H2,1H3
InChIKeyGEIPRXKENATNDA-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.62
Rot. Bonds4

About 5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65454420) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65454420
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c(OCc3cccc(Br)c3)cccc21
InChIInChI=1S/C18H20BrNO/c1-20-17-9-3-8-16-15(17)7-4-10-18(16)21-12-13-5-2-6-14(19)11-13/h2,4-7,10-11,17,20H,3,8-9,12H2,1H3
InChIKeyGEIPRXKENATNDA-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

4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63091001
N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456675
5-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456121
N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102880463
5-(methoxymethoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455743
4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63089768
5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455547
N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454409
4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol
CID 65456677
N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82865959
N-methyl-5-(oxolan-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455735
2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol
CID 114492127

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65454420) is 5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2c(OCc3cccc(Br)c3)cccc21.
What is the InChIKey of 5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GEIPRXKENATNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-20-17-9-3-8-16-15(17)7-4-10-18(16)21-12-13-5-2-6-14(19)11-13/h2,4-7,10-11,17,20H,3,8-9,12H2,1H3.
What are the key properties of 5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
5-[(3-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 5-[(3-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65454420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).