N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C14H20F2N2 — CID 28657757

IUPACN-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESFc1cccc(F)c1CNCCCN1CCCC1
InChIInChI=1S/C14H20F2N2/c15-13-5-3-6-14(16)12(13)11-17-7-4-10-18-8-1-2-9-18/h3,5-6,17H,1-2,4,7-11H2
InChIKeyLWWYMOOFFIPPKS-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.54
Rot. Bonds6

About N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 28657757) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID28657757
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESFc1cccc(F)c1CNCCCN1CCCC1
InChIInChI=1S/C14H20F2N2/c15-13-5-3-6-14(16)12(13)11-17-7-4-10-18-8-1-2-9-18/h3,5-6,17H,1-2,4,7-11H2
InChIKeyLWWYMOOFFIPPKS-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.54
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-[(2-chloro-6-fluorophenyl)methyl]-4-pyrrolidin-1-ylbutan-1-amine
CID 82364520
N-[(2,6-difluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679814
N-[(2-chloro-3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112652039
2-fluoro-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 112606300
N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657741
N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657718
N-[2-(2-fluorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 54961161
N-[(3-bromo-2-fluorophenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 107951107
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
N-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203849
N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 4720319

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 28657757) is N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is Fc1cccc(F)c1CNCCCN1CCCC1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is LWWYMOOFFIPPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c15-13-5-3-6-14(16)12(13)11-17-7-4-10-18-8-1-2-9-18/h3,5-6,17H,1-2,4,7-11H2.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 254.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 28657757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).