1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine

C13H19BrN2 — CID 83981718

IUPAC1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine
SMILESCC(N)CC1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C13H19BrN2/c1-10(15)8-11-6-7-16(9-11)13-4-2-12(14)3-5-13/h2-5,10-11H,6-9,15H2,1H3
InChIKeySLPRZLBZSZAFOM-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.01
Rot. Bonds3

About 1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine

1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine (PubChem CID 83981718) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine
PubChem CID83981718
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine
SMILESCC(N)CC1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C13H19BrN2/c1-10(15)8-11-6-7-16(9-11)13-4-2-12(14)3-5-13/h2-5,10-11H,6-9,15H2,1H3
InChIKeySLPRZLBZSZAFOM-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 119860635
(3R)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663652
(3S)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663654
3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
CID 83981422
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]butan-2-amine
CID 83981425
4-[1-(4-bromophenyl)pyrrolidin-3-yl]butan-2-one
CID 83981735
(2S)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119860636
[1-[4-[(1R)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942786
[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942779
2-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111076705
4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine
CID 83982060
2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 119860603

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine?
The IUPAC name of 1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine (CID 83981718) is 1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine is CC(N)CC1CCN(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine?
The InChIKey is SLPRZLBZSZAFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10(15)8-11-6-7-16(9-11)13-4-2-12(14)3-5-13/h2-5,10-11H,6-9,15H2,1H3.
What are the key properties of 1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine?
1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine has a molecular weight of 283.21 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine is sourced from PubChem (CID 83981718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).