N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine

C13H19BrN2 — CID 81379065

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESC[C@@H](NC1CCN(C)C1)c1ccccc1Br
InChIInChI=1S/C13H19BrN2/c1-10(12-5-3-4-6-13(12)14)15-11-7-8-16(2)9-11/h3-6,10-11,15H,7-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyVCFUDWYWHXWOFE-NFJWQWPMSA-N
MW283.21 g/mol
LogP2.80
Rot. Bonds3

About N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine

N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine (PubChem CID 81379065) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine
PubChem CID81379065
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESC[C@@H](NC1CCN(C)C1)c1ccccc1Br
InChIInChI=1S/C13H19BrN2/c1-10(12-5-3-4-6-13(12)14)15-11-7-8-16(2)9-11/h3-6,10-11,15H,7-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyVCFUDWYWHXWOFE-NFJWQWPMSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215869
N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
CID 65070708
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine
CID 81379064
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[1-(2-chloro-3-pyridinyl)ethyl]-1-methylpyrrolidin-3-amine
CID 115716970
N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine
CID 43109619
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
1-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 61461637
N-[(1R)-1-(2-bromophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562170
N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195061

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine (CID 81379065) is N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine is C[C@@H](NC1CCN(C)C1)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine?
The InChIKey is VCFUDWYWHXWOFE-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10(12-5-3-4-6-13(12)14)15-11-7-8-16(2)9-11/h3-6,10-11,15H,7-9H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine has a molecular weight of 283.21 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 81379065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).