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

C13H19BrN2 — CID 79540004

IUPAC2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCN1)Nc1ccccc1Br
InChIInChI=1S/C13H19BrN2/c1-10(9-11-5-4-8-15-11)16-13-7-3-2-6-12(13)14/h2-3,6-7,10-11,15-16H,4-5,8-9H2,1H3
InChIKeyWDBABVRARMOTRX-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.39
Rot. Bonds4

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

2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (PubChem CID 79540004) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
PubChem CID79540004
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCN1)Nc1ccccc1Br
InChIInChI=1S/C13H19BrN2/c1-10(9-11-5-4-8-15-11)16-13-7-3-2-6-12(13)14/h2-3,6-7,10-11,15-16H,4-5,8-9H2,1H3
InChIKeyWDBABVRARMOTRX-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

2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107633006
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-4-methylaniline
CID 79552971
2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540145
N-[1-(azepan-2-yl)propan-2-yl]naphthalen-1-amine
CID 79540649
2-bromo-4-nitro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540045
4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262
1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol
CID 79560809
N-[1-(azepan-2-yl)propan-2-yl]-4-bromo-2,3-dichloroaniline
CID 107788121
2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541024
3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540116
N-[1-(azepan-2-yl)propan-2-yl]-2-(difluoromethylsulfanyl)aniline
CID 79540761

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (CID 79540004) is 2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is CC(CC1CCCN1)Nc1ccccc1Br.
What is the InChIKey of 2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The InChIKey is WDBABVRARMOTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10(9-11-5-4-8-15-11)16-13-7-3-2-6-12(13)14/h2-3,6-7,10-11,15-16H,4-5,8-9H2,1H3.
What are the key properties of 2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
2-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 2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79540004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).