N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine

C14H20F2N2 — CID 55081336

IUPACN-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H20F2N2/c1-2-4-17-9-11-3-5-18(10-11)14-7-12(15)6-13(16)8-14/h6-8,11,17H,2-5,9-10H2,1H3
InChIKeyLDYNOJRHWGGARM-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.79
Rot. Bonds5

About N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine

N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 55081336) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID55081336
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H20F2N2/c1-2-4-17-9-11-3-5-18(10-11)14-7-12(15)6-13(16)8-14/h6-8,11,17H,2-5,9-10H2,1H3
InChIKeyLDYNOJRHWGGARM-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(3,5-dichlorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513027
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 65436366
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513094
N-[[1-(2-bromo-5-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636418
N-[[1-(3-iodophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081199
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
N-[[1-(4-bromo-3-chlorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107613124
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methylbutan-1-amine
CID 83467641
N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62783429
N-[[1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55082717
N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55235310
N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512063

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine (CID 55081336) is N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine is CCCNCC1CCN(c2cc(F)cc(F)c2)C1.
What is the InChIKey of N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is LDYNOJRHWGGARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-2-4-17-9-11-3-5-18(10-11)14-7-12(15)6-13(16)8-14/h6-8,11,17H,2-5,9-10H2,1H3.
What are the key properties of N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine?
N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 254.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55081336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).