1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine

C15H16BrN — CID 171127320

IUPAC1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine
SMILESBrc1ccc(CN2CCCC2)c2ccccc12
InChIInChI=1S/C15H16BrN/c16-15-8-7-12(11-17-9-3-4-10-17)13-5-1-2-6-14(13)15/h1-2,5-8H,3-4,9-11H2
InChIKeyZMPFLLFSBKKDDH-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.20
Rot. Bonds2

About 1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine

1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine (PubChem CID 171127320) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine
PubChem CID171127320
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine
SMILESBrc1ccc(CN2CCCC2)c2ccccc12
InChIInChI=1S/C15H16BrN/c16-15-8-7-12(11-17-9-3-4-10-17)13-5-1-2-6-14(13)15/h1-2,5-8H,3-4,9-11H2
InChIKeyZMPFLLFSBKKDDH-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene
CID 59060546
1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]pyrrolidine
CID 171396270
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
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1-[(2-bromo-5-fluorophenyl)methyl]azepane
CID 146004203
1,4-dibromonaphthalene
CID 162208061
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
2-bromo-6-(pyrrolidin-1-ylmethyl)phenol
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1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride
CID 130367096
1,4-bis(naphthalen-1-ylmethyl)piperazine
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1-[(2-bromo-4-fluorophenyl)methyl]azepane
CID 60711853

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine (CID 171127320) is 1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine is Brc1ccc(CN2CCCC2)c2ccccc12.
What is the InChIKey of 1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine?
The InChIKey is ZMPFLLFSBKKDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c16-15-8-7-12(11-17-9-3-4-10-17)13-5-1-2-6-14(13)15/h1-2,5-8H,3-4,9-11H2.
What are the key properties of 1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine?
1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine has a molecular weight of 290.20 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromonaphthalen-1-yl)methyl]pyrrolidine is sourced from PubChem (CID 171127320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).