1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine

C16H24F2N2 — CID 61207729

IUPAC1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCC(NCC1CCN(C(C)C)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2N2/c1-11(2)20-7-6-13(10-20)9-19-12(3)14-4-5-15(17)16(18)8-14/h4-5,8,11-13,19H,6-7,9-10H2,1-3H3
InChIKeyBYNAEMLYSLWHDT-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.35
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine

1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 61207729) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID61207729
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCC(NCC1CCN(C(C)C)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2N2/c1-11(2)20-7-6-13(10-20)9-19-12(3)14-4-5-15(17)16(18)8-14/h4-5,8,11-13,19H,6-7,9-10H2,1-3H3
InChIKeyBYNAEMLYSLWHDT-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207358
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
1-(3-bromo-4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207365
1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 55192396
1-(3,4-difluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013117
1-(3-bromo-4-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927743
3-[1-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]ethyl]benzonitrile
CID 61207369
1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 55175672
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 61208112
1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
CID 82993503
1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine
CID 114829496
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 60857448

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine (CID 61207729) is 1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine is CC(NCC1CCN(C(C)C)C1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is BYNAEMLYSLWHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-11(2)20-7-6-13(10-20)9-19-12(3)14-4-5-15(17)16(18)8-14/h4-5,8,11-13,19H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 282.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 61207729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).