6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C17H25BrN2 — CID 106623839

IUPAC6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(CC1CCCNC1)C1CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H25BrN2/c1-20(12-13-3-2-8-19-11-13)17-7-5-14-9-16(18)6-4-15(14)10-17/h4,6,9,13,17,19H,2-3,5,7-8,10-12H2,1H3
InChIKeyFLHQRFTUEZHQFL-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.24
Rot. Bonds3

About 6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 106623839) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID106623839
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(CC1CCCNC1)C1CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H25BrN2/c1-20(12-13-3-2-8-19-11-13)17-7-5-14-9-16(18)6-4-15(14)10-17/h4,6,9,13,17,19H,2-3,5,7-8,10-12H2,1H3
InChIKeyFLHQRFTUEZHQFL-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106624406
N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 120849544
5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline
CID 115209597
6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 120850519
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzonitrile
CID 106642648
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630836
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642759
2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628749
4-bromo-2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107739211
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906846
N-methyl-N-(piperidin-3-ylmethyl)oxan-4-amine
CID 43611345

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 106623839) is 6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CN(CC1CCCNC1)C1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is FLHQRFTUEZHQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-20(12-13-3-2-8-19-11-13)17-7-5-14-9-16(18)6-4-15(14)10-17/h4,6,9,13,17,19H,2-3,5,7-8,10-12H2,1H3.
What are the key properties of 6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 337.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-(piperidin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 106623839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).