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

C15H21BrN2 — CID 115300002

IUPAC1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(C2CCc3cc(Br)ccc3C2)C1
InChIInChI=1S/C15H21BrN2/c1-17-14-6-7-18(10-14)15-5-3-11-8-13(16)4-2-12(11)9-15/h2,4,8,14-15,17H,3,5-7,9-10H2,1H3
InChIKeyZXMWFFYWCUICSP-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.60
Rot. Bonds2

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

1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine (PubChem CID 115300002) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine
PubChem CID115300002
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(C2CCc3cc(Br)ccc3C2)C1
InChIInChI=1S/C15H21BrN2/c1-17-14-6-7-18(10-14)15-5-3-11-8-13(16)4-2-12(11)9-15/h2,4,8,14-15,17H,3,5-7,9-10H2,1H3
InChIKeyZXMWFFYWCUICSP-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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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine (CID 115300002) is 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine is CNC1CCN(C2CCc3cc(Br)ccc3C2)C1.
What is the InChIKey of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is ZXMWFFYWCUICSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-17-14-6-7-18(10-14)15-5-3-11-8-13(16)4-2-12(11)9-15/h2,4,8,14-15,17H,3,5-7,9-10H2,1H3.
What are the key properties of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine?
1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-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 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115300002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).