N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline

C16H19BrN2O — CID 104652371

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline
SMILESCC(Nc1ccccc1N1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C16H19BrN2O/c1-12(15-8-9-16(17)20-15)18-13-6-2-3-7-14(13)19-10-4-5-11-19/h2-3,6-9,12,18H,4-5,10-11H2,1H3
InChIKeyQCKSXCWUQNMSBH-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.82
Rot. Bonds4

About N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline

N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline (PubChem CID 104652371) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline
PubChem CID104652371
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline
SMILESCC(Nc1ccccc1N1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C16H19BrN2O/c1-12(15-8-9-16(17)20-15)18-13-6-2-3-7-14(13)19-10-4-5-11-19/h2-3,6-9,12,18H,4-5,10-11H2,1H3
InChIKeyQCKSXCWUQNMSBH-UHFFFAOYSA-N
XLogP4.82
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 104652182
N-[1-(5-bromofuran-2-yl)ethyl]-2-(triazol-1-yl)aniline
CID 104652315
N-[1-(5-bromofuran-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 104652024
3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol
CID 43684258
N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline
CID 43781177
N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43684228
N-(1-methoxypropan-2-yl)-2-piperidin-1-ylaniline
CID 62534686
N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline
CID 104653070
N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
CID 174970195
5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide
CID 30495584
4-[1-(5-bromofuran-2-yl)ethylamino]phenol
CID 104652665
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43781182

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline (CID 104652371) is N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline is CC(Nc1ccccc1N1CCCC1)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline?
The InChIKey is QCKSXCWUQNMSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-12(15-8-9-16(17)20-15)18-13-6-2-3-7-14(13)19-10-4-5-11-19/h2-3,6-9,12,18H,4-5,10-11H2,1H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline?
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline has a molecular weight of 335.25 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 104652371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).