N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine

C14H14F2N2 — CID 60913065

IUPACN-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine
SMILESFc1ccc(F)c(CNCCc2cccnc2)c1
InChIInChI=1S/C14H14F2N2/c15-13-3-4-14(16)12(8-13)10-18-7-5-11-2-1-6-17-9-11/h1-4,6,8-9,18H,5,7,10H2
InChIKeyAMJQONSJEVUVTC-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.69
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine

N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine (PubChem CID 60913065) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine
PubChem CID60913065
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine
SMILESFc1ccc(F)c(CNCCc2cccnc2)c1
InChIInChI=1S/C14H14F2N2/c15-13-3-4-14(16)12(8-13)10-18-7-5-11-2-1-6-17-9-11/h1-4,6,8-9,18H,5,7,10H2
InChIKeyAMJQONSJEVUVTC-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.69
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-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 54944073
N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 114842036
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105081155
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65230885
N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 43443599
1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105105357
4-chloro-2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 104646102
5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 61261961
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine (CID 60913065) is N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine is Fc1ccc(F)c(CNCCc2cccnc2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine?
The InChIKey is AMJQONSJEVUVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c15-13-3-4-14(16)12(8-13)10-18-7-5-11-2-1-6-17-9-11/h1-4,6,8-9,18H,5,7,10H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine?
N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine has a molecular weight of 248.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 60913065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).