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

C15H22F2N2 — CID 55235310

IUPACN-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2cc(F)ccc2F)C1
InChIInChI=1S/C15H22F2N2/c1-2-6-18-9-12-5-7-19(10-12)11-13-8-14(16)3-4-15(13)17/h3-4,8,12,18H,2,5-7,9-11H2,1H3
InChIKeyKOWDNTJXCNNSBM-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.79
Rot. Bonds6

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

N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 55235310) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID55235310
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2cc(F)ccc2F)C1
InChIInChI=1S/C15H22F2N2/c1-2-6-18-9-12-5-7-19(10-12)11-13-8-14(16)3-4-15(13)17/h3-4,8,12,18H,2,5-7,9-11H2,1H3
InChIKeyKOWDNTJXCNNSBM-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
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-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62581870
N-[[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62581504
4-fluoro-2-[[4-(propylaminomethyl)piperidin-1-yl]methyl]benzonitrile
CID 107909140
1-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512142
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 104869446
N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593627
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55169050
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592212
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62593443
N-[[1-[(2-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80552381
N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 65318072

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine (CID 55235310) is N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine is CCCNCC1CCN(Cc2cc(F)ccc2F)C1.
What is the InChIKey of N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is KOWDNTJXCNNSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-2-6-18-9-12-5-7-19(10-12)11-13-8-14(16)3-4-15(13)17/h3-4,8,12,18H,2,5-7,9-11H2,1H3.
What are the key properties of N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 268.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55235310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).