[6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine

C17H25BrN2O — CID 63631321

IUPAC[6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCOC1CCN(C2(CN)CCc3cc(Br)ccc3C2)CC1
InChIInChI=1S/C17H25BrN2O/c1-21-16-5-8-20(9-6-16)17(12-19)7-4-13-10-15(18)3-2-14(13)11-17/h2-3,10,16H,4-9,11-12,19H2,1H3
InChIKeyMKWDZTWGLYTMHS-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.75
Rot. Bonds3

About [6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine

[6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (PubChem CID 63631321) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is [6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
PubChem CID63631321
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name[6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCOC1CCN(C2(CN)CCc3cc(Br)ccc3C2)CC1
InChIInChI=1S/C17H25BrN2O/c1-21-16-5-8-20(9-6-16)17(12-19)7-4-13-10-15(18)3-2-14(13)11-17/h2-3,10,16H,4-9,11-12,19H2,1H3
InChIKeyMKWDZTWGLYTMHS-UHFFFAOYSA-N
XLogP2.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine with MolForge

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Related Compounds

1-(6-Bromo-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 15137254
2-(aminomethyl)-6-bromo-N-methyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine
CID 55247303
[6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 55247692
6-bromo-2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 55249042
(6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 55249625
1-(6-Bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine
CID 55250201
[2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 60796351
[2-(4-ethoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 61218239
6-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625005
6-bromo-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625153
6-bromo-N-(3-morpholin-4-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625159
6-bromo-N-(3-methoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625160

Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The IUPAC name of [6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (CID 63631321) is [6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.
What is the SMILES notation for [6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The canonical SMILES for [6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is COC1CCN(C2(CN)CCc3cc(Br)ccc3C2)CC1.
What is the InChIKey of [6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The InChIKey is MKWDZTWGLYTMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-21-16-5-8-20(9-6-16)17(12-19)7-4-13-10-15(18)3-2-14(13)11-17/h2-3,10,16H,4-9,11-12,19H2,1H3.
What are the key properties of [6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
[6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine has a molecular weight of 353.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-(4-methoxypiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is sourced from PubChem (CID 63631321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).