N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine

C15H21BrN2 — CID 63626408

IUPACN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NC2CCc3cc(Br)ccc3C2)C1
InChIInChI=1S/C15H21BrN2/c1-18-7-6-15(10-18)17-14-5-3-11-8-13(16)4-2-12(11)9-14/h2,4,8,14-15,17H,3,5-7,9-10H2,1H3
InChIKeyBWHDYDHBMGZUCY-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.60
Rot. Bonds2

About N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine (PubChem CID 63626408) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine
PubChem CID63626408
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NC2CCc3cc(Br)ccc3C2)C1
InChIInChI=1S/C15H21BrN2/c1-18-7-6-15(10-18)17-14-5-3-11-8-13(16)4-2-12(11)9-14/h2,4,8,14-15,17H,3,5-7,9-10H2,1H3
InChIKeyBWHDYDHBMGZUCY-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(3-methylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55249103
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 63626581
1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine
CID 115300002
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793
6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626916
6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627456
6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81385547
6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625349
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625881
6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55249808
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol
CID 63626390
6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115727894

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine (CID 63626408) is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine is CN1CCC(NC2CCc3cc(Br)ccc3C2)C1.
What is the InChIKey of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine?
The InChIKey is BWHDYDHBMGZUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-18-7-6-15(10-18)17-14-5-3-11-8-13(16)4-2-12(11)9-14/h2,4,8,14-15,17H,3,5-7,9-10H2,1H3.
What are the key properties of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine?
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine has a molecular weight of 309.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 63626408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).