N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

C15H21BrF2N2 — CID 102854005

IUPACN-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(c2cc(Br)c(F)cc2F)C1
InChIInChI=1S/C15H21BrF2N2/c1-10(2)7-19-8-11-3-4-20(9-11)15-5-12(16)13(17)6-14(15)18/h5-6,10-11,19H,3-4,7-9H2,1-2H3
InChIKeySLSVTMQXWWFFFU-UHFFFAOYSA-N
MW347.25 g/mol
LogP3.80
Rot. Bonds5

About N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 102854005) has the molecular formula C15H21BrF2N2 and a molecular weight of 347.25 g/mol. Its IUPAC name is N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID102854005
Molecular FormulaC15H21BrF2N2
Molecular Weight347.25 g/mol
Exact Mass346.09
IUPAC NameN-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(c2cc(Br)c(F)cc2F)C1
InChIInChI=1S/C15H21BrF2N2/c1-10(2)7-19-8-11-3-4-20(9-11)15-5-12(16)13(17)6-14(15)18/h5-6,10-11,19H,3-4,7-9H2,1-2H3
InChIKeySLSVTMQXWWFFFU-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine
CID 62816102
4-bromo-5-fluoro-2-(3-propylpyrrolidin-1-yl)aniline
CID 116736254
[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol
CID 64868848
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 65436566
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 65436366
N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512550
N-[[1-(2-bromo-5-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636418
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62513713
N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 114838293
N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 79734168
N-[(1-isoquinolin-5-ylpyrrolidin-3-yl)methyl]-2-methylpropan-1-amine
CID 62512922
N-[[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62592901

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (CID 102854005) is N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCN(c2cc(Br)c(F)cc2F)C1.
What is the InChIKey of N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is SLSVTMQXWWFFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF2N2/c1-10(2)7-19-8-11-3-4-20(9-11)15-5-12(16)13(17)6-14(15)18/h5-6,10-11,19H,3-4,7-9H2,1-2H3.
What are the key properties of N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 347.25 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 102854005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).