N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine

C14H21BrN2 — CID 115146007

IUPACN-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine
SMILESCN(Cc1ccccc1Br)C1CNC(C)(C)C1
InChIInChI=1S/C14H21BrN2/c1-14(2)8-12(9-16-14)17(3)10-11-6-4-5-7-13(11)15/h4-7,12,16H,8-10H2,1-3H3
InChIKeyRNZRYDUTMBMURM-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.02
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine

N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine (PubChem CID 115146007) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine
PubChem CID115146007
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine
SMILESCN(Cc1ccccc1Br)C1CNC(C)(C)C1
InChIInChI=1S/C14H21BrN2/c1-14(2)8-12(9-16-14)17(3)10-11-6-4-5-7-13(11)15/h4-7,12,16H,8-10H2,1-3H3
InChIKeyRNZRYDUTMBMURM-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methylazetidin-3-amine
CID 62784251
N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146101
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912776
N-[(2-bromophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314084
N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine
CID 82013361
N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine
CID 115145458
1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
1-(2-bromophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
CID 83074259
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146089
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine
CID 155291918

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine (CID 115146007) is N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine is CN(Cc1ccccc1Br)C1CNC(C)(C)C1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine?
The InChIKey is RNZRYDUTMBMURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-14(2)8-12(9-16-14)17(3)10-11-6-4-5-7-13(11)15/h4-7,12,16H,8-10H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine?
N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine has a molecular weight of 297.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 115146007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).