N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine

C16H24ClFN2 — CID 103038258

IUPACN-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H24ClFN2/c1-12(2)9-19-10-14-4-3-7-20(14)11-13-5-6-16(18)15(17)8-13/h5-6,8,12,14,19H,3-4,7,9-11H2,1-2H3
InChIKeyGOGWFJNGPJIAKY-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.69
Rot. Bonds6

About N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 103038258) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID103038258
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC NameN-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H24ClFN2/c1-12(2)9-19-10-14-4-3-7-20(14)11-13-5-6-16(18)15(17)8-13/h5-6,8,12,14,19H,3-4,7,9-11H2,1-2H3
InChIKeyGOGWFJNGPJIAKY-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63527672
2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine
CID 103041371
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579834
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 62581106
1-[(3-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)piperidine
CID 103041314
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63528020
N-[[1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 82919278
N-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 107881931
N-[[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 79697599
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453693
N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580001
1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120842701

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine (CID 103038258) is N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCN1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is GOGWFJNGPJIAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-12(2)9-19-10-14-4-3-7-20(14)11-13-5-6-16(18)15(17)8-13/h5-6,8,12,14,19H,3-4,7,9-11H2,1-2H3.
What are the key properties of N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 298.83 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103038258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).