3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

C13H19BrN2 — CID 79540116

IUPAC3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCN1)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2/c1-10(8-12-6-3-7-15-12)16-13-5-2-4-11(14)9-13/h2,4-5,9-10,12,15-16H,3,6-8H2,1H3
InChIKeyVOVVNYRSWRUXJG-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.39
Rot. Bonds4

About 3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (PubChem CID 79540116) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
PubChem CID79540116
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCN1)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2/c1-10(8-12-6-3-7-15-12)16-13-5-2-4-11(14)9-13/h2,4-5,9-10,12,15-16H,3,6-8H2,1H3
InChIKeyVOVVNYRSWRUXJG-UHFFFAOYSA-N
XLogP3.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylsulfanyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541794
4-bromo-3-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540717
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline
CID 79540658
N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
CID 79541111
4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262
2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541024
N-[1-(azepan-2-yl)propan-2-yl]-3-bromo-4-methylaniline
CID 79559813
N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537205
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline
CID 79541571
4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788363

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (CID 79540116) is 3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is CC(CC1CCCN1)Nc1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The InChIKey is VOVVNYRSWRUXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10(8-12-6-3-7-15-12)16-13-5-2-4-11(14)9-13/h2,4-5,9-10,12,15-16H,3,6-8H2,1H3.
What are the key properties of 3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline has a molecular weight of 283.21 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79540116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).