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

C15H21BrN2 — CID 81379064

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine
SMILESC[C@@H](NC1CCN(C2CC2)C1)c1ccccc1Br
InChIInChI=1S/C15H21BrN2/c1-11(14-4-2-3-5-15(14)16)17-12-8-9-18(10-12)13-6-7-13/h2-5,11-13,17H,6-10H2,1H3/t11-,12?/m1/s1
InChIKeyZTQSJPLPFNJCIV-JHJMLUEUSA-N
MW309.25 g/mol
LogP3.34
Rot. Bonds4

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

N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine (PubChem CID 81379064) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine
PubChem CID81379064
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine
SMILESC[C@@H](NC1CCN(C2CC2)C1)c1ccccc1Br
InChIInChI=1S/C15H21BrN2/c1-11(14-4-2-3-5-15(14)16)17-12-8-9-18(10-12)13-6-7-13/h2-5,11-13,17H,6-10H2,1H3/t11-,12?/m1/s1
InChIKeyZTQSJPLPFNJCIV-JHJMLUEUSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81379065
1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444
N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215869
N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115704080
N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
CID 65070708
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine
CID 43109619
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
N-[(1R)-1-(2-bromophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562170
1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81364151
2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63068697
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-cyclopropylpyrrolidin-3-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine (CID 81379064) is N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine is C[C@@H](NC1CCN(C2CC2)C1)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine?
The InChIKey is ZTQSJPLPFNJCIV-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-11(14-4-2-3-5-15(14)16)17-12-8-9-18(10-12)13-6-7-13/h2-5,11-13,17H,6-10H2,1H3/t11-,12?/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine has a molecular weight of 309.25 g/mol, XLogP of 3.34, 4 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-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 81379064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).